 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer08_STD_B3LYPDBJ_augccpVDZ.in
 Output=11_L-cysteine_conformer08_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-115508.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    115509.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer08_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:37:27 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.761862000000     -0.588209000000      0.435893000000
  S                                                 2.483354000000     -0.175052000000     -0.048255000000
  C                                                -0.225287000000      0.170464000000     -0.451796000000
  N                                                -0.127633000000      1.615463000000     -0.235189000000
  C                                                -1.637783000000     -0.323724000000     -0.083339000000
  O                                                -2.038501000000     -1.416287000000     -0.375336000000
  O                                                -2.350874000000      0.562455000000      0.617876000000
  H                                                -0.057499000000     -0.120065000000     -1.493087000000
  H                                                 0.610604000000     -0.305865000000      1.477689000000
  H                                                 0.587510000000     -1.654777000000      0.324053000000
  H                                                -1.776658000000      1.360502000000      0.685452000000
  H                                                 0.813664000000      1.874630000000      0.039632000000
  H                                                -0.355531000000      2.133785000000     -1.074456000000
  H                                                 3.059912000000     -0.516154000000      1.114249000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:37:28 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.761862   -0.588209    0.435893
      2         16           0        2.483354   -0.175052   -0.048255
      3          6           0       -0.225287    0.170464   -0.451796
      4          7           0       -0.127633    1.615463   -0.235189
      5          6           0       -1.637783   -0.323724   -0.083339
      6          8           0       -2.038501   -1.416287   -0.375336
      7          8           0       -2.350874    0.562455    0.617876
      8          1           0       -0.057499   -0.120065   -1.493087
      9          1           0        0.610604   -0.305865    1.477689
     10          1           0        0.587510   -1.654777    0.324053
     11          1           0       -1.776658    1.360502    0.685452
     12          1           0        0.813664    1.874630    0.039632
     13          1           0       -0.355531    2.133785   -1.074456
     14          1           0        3.059912   -0.516154    1.114249
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.835384   0.000000
     3  C    1.529065   2.760247   0.000000
     4  N    2.469357   3.171457   1.464403   0.000000
     5  C    2.469383   4.123967   1.541145   2.462531   0.000000
     6  O    3.030815   4.700513   2.410678   3.586442   1.199805
     7  O    3.323593   4.935322   2.411633   2.603718   1.336231
     8  H    2.147435   2.923439   1.094005   2.144594   2.127478
     9  H    1.089925   2.419258   2.156042   2.677769   2.737220
    10  H    1.086496   2.433603   2.143382   3.393914   2.624805
    11  H    3.209959   4.587369   2.261919   1.905746   1.856594
    12  H    2.495052   2.645144   2.055505   1.014265   3.295068
    13  H    3.307412   3.800406   2.063807   1.012405   2.943779
    14  H    2.397163   1.341710   3.703576   4.065122   4.851761
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.235949   0.000000
     8  H    2.618001   3.190857   0.000000
     9  H    3.418259   3.203687   3.050638   0.000000
    10  H    2.727995   3.692770   2.464422   1.775098   0.000000
    11  H    2.984022   0.985479   3.145412   3.017190   3.848611
    12  H    4.374606   3.474258   2.662135   2.619885   3.548064
    13  H    3.990510   3.051960   2.311691   3.660431   4.147090
    14  H    5.387292   5.539530   4.083300   2.485039   2.834368
                   11         12         13         14
    11  H    0.000000
    12  H    2.718672   0.000000
    13  H    2.390574   1.635656   0.000000
    14  H    5.205585   3.451997   4.845395   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.761862   -0.588209    0.435893
      2         16           0        2.483354   -0.175052   -0.048255
      3          6           0       -0.225287    0.170464   -0.451796
      4          7           0       -0.127633    1.615463   -0.235189
      5          6           0       -1.637783   -0.323724   -0.083339
      6          8           0       -2.038501   -1.416287   -0.375336
      7          8           0       -2.350874    0.562455    0.617876
      8          1           0       -0.057499   -0.120065   -1.493087
      9          1           0        0.610604   -0.305865    1.477689
     10          1           0        0.587510   -1.654777    0.324053
     11          1           0       -1.776658    1.360502    0.685452
     12          1           0        0.813664    1.874630    0.039632
     13          1           0       -0.355531    2.133785   -1.074456
     14          1           0        3.059912   -0.516154    1.114249
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4000722           1.1821391           1.0113058
 Leave Link  202 at Thu Aug 12 19:37:28 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       376.1338853749 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0224430145 Hartrees.
 Nuclear repulsion after empirical dispersion term =      376.1114423603 Hartrees.
 Leave Link  301 at Thu Aug 12 19:37:29 2021, MaxMem=  5368709120 cpu:               9.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.60D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:37:30 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:37:30 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:37:30 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -722.024899840800    
 DIIS: error= 5.15D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -722.024899840800     IErMin= 1 ErrMin= 5.15D-03
 ErrMax= 5.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-03 BMatP= 6.24D-03
 IDIUse=3 WtCom= 9.49D-01 WtEn= 5.15D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.246 Goal=   None    Shift=    0.000
 GapD=    0.246 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.88D-03 MaxDP=2.61D-01              OVMax= 2.13D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.86D-03    CP:  1.02D+00
 E= -722.029965415776     Delta-E=       -0.005065574976 Rises=F Damp=F
 DIIS: error= 5.71D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -722.029965415776     IErMin= 2 ErrMin= 5.71D-04
 ErrMax= 5.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-04 BMatP= 6.24D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.71D-03
 Coeff-Com:  0.181D-01 0.982D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.180D-01 0.982D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=4.46D-04 MaxDP=1.92D-02 DE=-5.07D-03 OVMax= 5.36D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.25D-04    CP:  1.02D+00  1.03D+00
 E= -722.029829472185     Delta-E=        0.000135943591 Rises=F Damp=F
 DIIS: error= 8.72D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -722.029965415776     IErMin= 2 ErrMin= 5.71D-04
 ErrMax= 8.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-04 BMatP= 1.41D-04
 IDIUse=3 WtCom= 2.53D-01 WtEn= 7.47D-01
 Coeff-Com: -0.795D-02 0.617D+00 0.391D+00
 Coeff-En:   0.000D+00 0.668D+00 0.332D+00
 Coeff:     -0.201D-02 0.655D+00 0.347D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=6.43D-03 DE= 1.36D-04 OVMax= 3.64D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.85D-05    CP:  1.02D+00  1.04D+00  8.34D-01
 E= -722.030079636101     Delta-E=       -0.000250163916 Rises=F Damp=F
 DIIS: error= 5.51D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -722.030079636101     IErMin= 4 ErrMin= 5.51D-05
 ErrMax= 5.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-06 BMatP= 1.41D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.467D-02 0.243D+00 0.127D+00 0.635D+00
 Coeff:     -0.467D-02 0.243D+00 0.127D+00 0.635D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.17D-05 MaxDP=1.26D-03 DE=-2.50D-04 OVMax= 9.24D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.05D-05    CP:  1.02D+00  1.04D+00  8.43D-01  1.03D+00
 E= -722.030081739342     Delta-E=       -0.000002103241 Rises=F Damp=F
 DIIS: error= 4.96D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -722.030081739342     IErMin= 5 ErrMin= 4.96D-05
 ErrMax= 4.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-06 BMatP= 4.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.185D-02 0.541D-01 0.185D-01 0.432D+00 0.497D+00
 Coeff:     -0.185D-02 0.541D-01 0.185D-01 0.432D+00 0.497D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=6.18D-04 DE=-2.10D-06 OVMax= 5.58D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.93D-06    CP:  1.02D+00  1.04D+00  8.55D-01  1.07D+00  7.30D-01
 E= -722.030083309469     Delta-E=       -0.000001570127 Rises=F Damp=F
 DIIS: error= 9.98D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -722.030083309469     IErMin= 6 ErrMin= 9.98D-06
 ErrMax= 9.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-07 BMatP= 2.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.499D-03 0.389D-02-0.234D-02 0.166D+00 0.267D+00 0.566D+00
 Coeff:     -0.499D-03 0.389D-02-0.234D-02 0.166D+00 0.267D+00 0.566D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=3.60D-06 MaxDP=1.65D-04 DE=-1.57D-06 OVMax= 1.05D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.45D-06    CP:  1.02D+00  1.04D+00  8.60D-01  1.08D+00  7.18D-01
                    CP:  7.98D-01
 E= -722.030083410793     Delta-E=       -0.000000101324 Rises=F Damp=F
 DIIS: error= 2.67D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -722.030083410793     IErMin= 7 ErrMin= 2.67D-06
 ErrMax= 2.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-09 BMatP= 1.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-03-0.154D-02-0.194D-02 0.502D-01 0.958D-01 0.280D+00
 Coeff-Com:  0.578D+00
 Coeff:     -0.110D-03-0.154D-02-0.194D-02 0.502D-01 0.958D-01 0.280D+00
 Coeff:      0.578D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=9.81D-07 MaxDP=4.68D-05 DE=-1.01D-07 OVMax= 2.86D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.05D-07    CP:  1.02D+00  1.04D+00  8.61D-01  1.08D+00  7.25D-01
                    CP:  8.08D-01  8.63D-01
 E= -722.030083418004     Delta-E=       -0.000000007210 Rises=F Damp=F
 DIIS: error= 7.54D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -722.030083418004     IErMin= 8 ErrMin= 7.54D-07
 ErrMax= 7.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.40D-10 BMatP= 7.43D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.516D-05-0.122D-02-0.609D-03 0.321D-02 0.124D-01 0.631D-01
 Coeff-Com:  0.255D+00 0.669D+00
 Coeff:      0.516D-05-0.122D-02-0.609D-03 0.321D-02 0.124D-01 0.631D-01
 Coeff:      0.255D+00 0.669D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=3.37D-07 MaxDP=1.19D-05 DE=-7.21D-09 OVMax= 8.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.21D-07    CP:  1.02D+00  1.04D+00  8.61D-01  1.09D+00  7.28D-01
                    CP:  8.23D-01  8.91D-01  8.24D-01
 E= -722.030083418524     Delta-E=       -0.000000000520 Rises=F Damp=F
 DIIS: error= 2.69D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -722.030083418524     IErMin= 9 ErrMin= 2.69D-07
 ErrMax= 2.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-11 BMatP= 5.40D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-04-0.527D-03-0.196D-03-0.146D-02 0.149D-03 0.145D-01
 Coeff-Com:  0.908D-01 0.336D+00 0.561D+00
 Coeff:      0.100D-04-0.527D-03-0.196D-03-0.146D-02 0.149D-03 0.145D-01
 Coeff:      0.908D-01 0.336D+00 0.561D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=8.26D-08 MaxDP=2.46D-06 DE=-5.20D-10 OVMax= 2.36D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.72D-08    CP:  1.02D+00  1.04D+00  8.61D-01  1.09D+00  7.28D-01
                    CP:  8.24D-01  9.00D-01  8.59D-01  8.25D-01
 E= -722.030083418594     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 5.39D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -722.030083418594     IErMin=10 ErrMin= 5.39D-08
 ErrMax= 5.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-12 BMatP= 5.53D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.238D-05-0.637D-04-0.103D-04-0.707D-03-0.988D-03-0.344D-04
 Coeff-Com:  0.118D-01 0.628D-01 0.194D+00 0.733D+00
 Coeff:      0.238D-05-0.637D-04-0.103D-04-0.707D-03-0.988D-03-0.344D-04
 Coeff:      0.118D-01 0.628D-01 0.194D+00 0.733D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.80D-08 MaxDP=7.43D-07 DE=-7.00D-11 OVMax= 3.84D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.30D-08    CP:  1.02D+00  1.04D+00  8.61D-01  1.09D+00  7.28D-01
                    CP:  8.25D-01  9.03D-01  8.64D-01  8.48D-01  9.11D-01
 E= -722.030083418592     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.29D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -722.030083418594     IErMin=11 ErrMin= 1.29D-08
 ErrMax= 1.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.59D-14 BMatP= 1.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.483D-06-0.347D-05 0.287D-05-0.188D-03-0.359D-03-0.682D-03
 Coeff-Com:  0.230D-03 0.641D-02 0.429D-01 0.260D+00 0.692D+00
 Coeff:      0.483D-06-0.347D-05 0.287D-05-0.188D-03-0.359D-03-0.682D-03
 Coeff:      0.230D-03 0.641D-02 0.429D-01 0.260D+00 0.692D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=4.13D-09 MaxDP=1.46D-07 DE= 2.27D-12 OVMax= 1.16D-07

 SCF Done:  E(RB3LYP) =  -722.030083419     A.U. after   11 cycles
            NFock= 11  Conv=0.41D-08     -V/T= 2.0040
 KE= 7.191559586919D+02 PE=-2.456185321487D+03 EE= 6.388878370166D+02
 Leave Link  502 at Thu Aug 12 19:38:01 2021, MaxMem=  5368709120 cpu:             241.3 elap:              30.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48374699D+02

 Leave Link  801 at Thu Aug 12 19:38:01 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.91D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 3.22D-01 1.63D-01.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 5.91D-02 3.37D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 3.17D-03 1.29D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 9.91D-05 2.34D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 1.22D-06 2.23D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 1.84D-08 2.00D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 2.39D-10 2.62D-06.
      9 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 1.29D-12 2.29D-07.
      2 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 6.76D-15 1.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension    99 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.944163D+02
      2  0.758416D+00  0.771976D+02
      3 -0.107962D+01  0.243626D+01  0.641211D+02
 Isotropic polarizability for W=    0.088559       78.58 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.101966D+03 -0.191389D+02  0.160745D+02
      2  -0.600607D+02  0.154974D+02 -0.148440D+02
      3  -0.419056D+02  0.364143D+01 -0.123053D+01
      4  -0.204332D+02  0.152343D+02 -0.175077D+02
      5   0.191274D+02 -0.183025D+02  0.509601D+02
      6  -0.616125D+01 -0.720784D+01  0.363906D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.311267D+01 -0.304667D+00 -0.178868D+01
      2   0.839287D+01 -0.661706D+01  0.284888D+02
      3   0.912118D+01 -0.167703D+02  0.477863D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.794862D+00  0.763611D+01  0.237282D-02
      2  -0.305294D+01 -0.113464D+02  0.928657D+02
      3  -0.129437D+01 -0.752950D+02  0.121413D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.111793D+01 -0.144915D+01 -0.199462D+01
      2  -0.144915D+01  0.110905D+01 -0.733304D+00
      3  -0.199462D+01 -0.733304D+00  0.128313D+01
 OR G Eigenvalues:    -2.9019     1.7580     2.4181  Iso=    -0.4247
 Eigenvectors:
   (1)   0.809575   0.375061   0.451572
   (2)  -0.273191   0.921610  -0.275684
   (3)  -0.519572   0.099822   0.848576
 w=    0.088559 a.u., Optical Rotation Beta=     -0.4247 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -177.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 9.79D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.53D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 4.82D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.02D-02 4.52D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 3.47D-04 2.50D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 3.35D-06 3.41D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 2.29D-08 2.52D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 8.71D-11 8.73D-07.
     27 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 1.35D-13 3.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   207 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 1.09D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 1.09D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.21D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.944163D+02  0.758416D+00 -0.107962D+01
      2   0.758416D+00  0.771976D+02  0.243626D+01
      3  -0.107962D+01  0.243626D+01  0.641211D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.311267D+01 -0.304667D+00 -0.178868D+01
      2   0.839287D+01 -0.661706D+01  0.284888D+02
      3   0.912118D+01 -0.167703D+02  0.477863D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.101966D+03 -0.191389D+02  0.160745D+02
      2  -0.600607D+02  0.154974D+02 -0.148440D+02
      3  -0.419056D+02  0.364143D+01 -0.123053D+01
      4  -0.204332D+02  0.152343D+02 -0.175077D+02
      5   0.191274D+02 -0.183025D+02  0.509601D+02
      6  -0.616125D+01 -0.720784D+01  0.363906D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128448D+02 -0.186959D+01  0.172957D+01 -0.425570D+01  0.252854D+01
      2  -0.186959D+01 -0.465873D+00 -0.719140D+00  0.252854D+01  0.376619D+01
      3   0.172957D+01 -0.719140D+00 -0.156577D+00  0.227741D+00  0.176618D-01
                 6             7             8             9            10 
      1   0.227741D+00  0.349301D+01  0.681650D+00  0.127815D+01  0.137875D+02
      2   0.176618D-01  0.681650D+00  0.171912D+01 -0.769039D+00  0.251199D+01
      3  -0.217370D+01  0.127815D+01 -0.769039D+00 -0.486862D+01 -0.446878D+01
                11            12            13            14            15 
      1   0.251199D+01 -0.446878D+01  0.440139D+01  0.272940D+01  0.665186D+00
      2   0.203189D+01  0.734692D+00  0.272940D+01 -0.100802D+00 -0.947598D+00
      3   0.734692D+00 -0.592936D+00  0.665186D+00 -0.947598D+00  0.222338D+01
                16            17            18            19            20 
      1  -0.732037D+01  0.954110D+00  0.952475D+00  0.418032D+01  0.160888D+01
      2   0.954110D+00 -0.201125D+01  0.187874D+01  0.160888D+01 -0.937094D+00
      3   0.952475D+00  0.187874D+01 -0.675390D+01 -0.109803D+01 -0.103282D+00
                21            22            23            24            25 
      1  -0.109803D+01  0.447325D+01 -0.396508D+00  0.645547D+00 -0.376437D+01
      2  -0.103282D+00 -0.396508D+00 -0.247796D+01  0.626857D+00 -0.361299D+00
      3  -0.912321D+00  0.645547D+00  0.626857D+00  0.204048D+01 -0.111905D+01
                26            27            28            29            30 
      1  -0.361299D+00 -0.111905D+01 -0.553091D+01  0.561081D-01 -0.289894D+00
      2  -0.310904D+00  0.279402D+01  0.561081D-01 -0.142805D+01  0.136006D+00
      3   0.279402D+01  0.565925D+01 -0.289894D+00  0.136006D+00  0.130365D+01
                31            32            33            34            35 
      1  -0.132368D+01 -0.515029D+00 -0.804753D+00 -0.638917D+00 -0.581114D+00
      2  -0.515029D+00  0.261199D+01  0.141423D+01 -0.581114D+00  0.287416D+01
      3  -0.804753D+00  0.141423D+01 -0.194752D+01  0.124262D+01 -0.218998D+01
                36            37            38            39            40 
      1   0.124262D+01 -0.338798D+01 -0.705326D+00  0.781991D+00  0.243642D+00
      2  -0.218998D+01 -0.705326D+00  0.122520D+01  0.140596D+01  0.358370D+01
      3   0.201858D+01  0.781991D+00  0.140596D+01 -0.661837D-01  0.153060D+01
                41            42            43            44            45 
      1   0.358370D+01  0.153060D+01  0.220360D+01  0.218131D+01  0.415564D+00
      2   0.524990D+01  0.802898D+00  0.218131D+01  0.150144D+01 -0.357489D+00
      3   0.802898D+00  0.661924D-01  0.415564D+00 -0.357489D+00 -0.680654D+00
                46            47            48            49            50 
      1  -0.402814D+01 -0.395194D+01 -0.147891D+01 -0.553311D+01 -0.427947D+01
      2  -0.395194D+01 -0.287878D+01 -0.992960D+00 -0.427947D+01 -0.112861D+02
      3  -0.147891D+01 -0.992960D+00 -0.819428D+00 -0.871536D+00 -0.179757D+01
                51            52            53            54            55 
      1  -0.871536D+00 -0.185437D+01 -0.947334D+00 -0.200603D+01 -0.675133D+01
      2  -0.179757D+01 -0.947334D+00 -0.143055D+01 -0.296024D+01  0.129794D+01
      3  -0.236562D+01 -0.200603D+01 -0.296024D+01 -0.219339D+01  0.232991D+01
                56            57            58            59            60 
      1   0.129794D+01  0.232991D+01 -0.184834D+01 -0.412462D+01  0.396498D+00
      2  -0.262778D+01 -0.491550D+00 -0.412462D+01 -0.101132D+01  0.521018D+00
      3  -0.491550D+00 -0.128773D+01  0.396498D+00  0.521018D+00  0.696547D-01
                61            62            63            64            65 
      1   0.158922D+01 -0.107841D+01 -0.186940D+01  0.584701D+00 -0.648686D+00
      2  -0.107841D+01 -0.156485D+00  0.117871D+01 -0.648686D+00  0.352163D+00
      3  -0.186940D+01  0.117871D+01  0.257055D+01 -0.793397D+00  0.408606D-01
                66            67            68            69            70 
      1  -0.793397D+00 -0.120939D+01  0.333086D+00 -0.257280D-01 -0.136122D+01
      2   0.408606D-01  0.333086D+00 -0.931848D+00 -0.143240D+01  0.133241D+00
      3   0.858687D+00 -0.257280D-01 -0.143240D+01 -0.165797D+01  0.760703D-01
                71            72            73            74            75 
      1   0.133241D+00  0.760703D-01  0.577773D+00  0.234233D+00  0.675812D+00
      2  -0.204044D+01 -0.176403D+01  0.234233D+00  0.632221D-01  0.139661D+00
      3  -0.176403D+01 -0.772937D+01  0.675812D+00  0.139661D+00 -0.781080D+00
                76            77            78            79            80 
      1   0.151519D+01 -0.564812D+00 -0.854369D-01  0.262716D+01 -0.116548D+00
      2  -0.564812D+00  0.325623D-01  0.812126D+00 -0.116548D+00  0.755376D+00
      3  -0.854369D-01  0.812126D+00  0.151416D+01 -0.142431D+01 -0.283702D+00
                81            82            83            84            85 
      1  -0.142431D+01 -0.534643D+00 -0.640533D+00 -0.193174D+00 -0.272223D+01
      2  -0.283702D+00 -0.640533D+00 -0.380301D+00  0.314128D+00 -0.179895D+01
      3   0.717205D+01 -0.193174D+00  0.314128D+00 -0.136985D+00  0.219655D+00
                86            87            88            89            90 
      1  -0.179895D+01  0.219655D+00 -0.149008D+01 -0.339059D-01 -0.428493D+00
      2  -0.686586D+01  0.714970D+00 -0.339059D-01 -0.496368D+00 -0.808109D+00
      3   0.714970D+00 -0.671745D+00 -0.428493D+00 -0.808109D+00  0.382136D+00
                91            92            93            94            95 
      1   0.239810D+01  0.190633D+01 -0.820401D+00  0.468593D+01  0.414348D+00
      2   0.190633D+01  0.106027D+01 -0.135815D+00  0.414348D+00  0.452979D+01
      3  -0.820401D+00 -0.135815D+00  0.104482D+00 -0.123965D+01  0.924060D+00
                96            97            98            99           100 
      1  -0.123965D+01  0.133470D+00 -0.257141D+00 -0.541007D+00  0.682710D+01
      2   0.924060D+00 -0.257141D+00  0.990080D+00  0.894495D+00  0.517806D+00
      3   0.147768D+01 -0.541007D+00  0.894495D+00  0.152055D+01  0.102339D+01
               101           102           103           104           105 
      1   0.517806D+00  0.102339D+01  0.164082D+01  0.181242D+01 -0.487616D-01
      2   0.400794D+01 -0.172592D+00  0.181242D+01  0.251815D+01  0.104034D+00
      3  -0.172592D+00  0.791029D+00 -0.487616D-01  0.104034D+00  0.750549D+00
               106           107           108           109           110 
      1   0.230322D+01 -0.321599D-01  0.142163D+00 -0.751520D+00  0.818849D+00
      2  -0.321599D-01  0.100427D+01  0.757624D+00  0.818849D+00 -0.977907D+00
      3   0.142163D+00  0.757624D+00  0.441238D+00 -0.477798D+00  0.437518D+00
               111           112           113           114           115 
      1  -0.477798D+00  0.839179D+00 -0.606716D+00  0.326708D+00 -0.110044D+01
      2   0.437518D+00 -0.606716D+00  0.424241D+01 -0.240310D+01  0.862939D+00
      3  -0.147607D+01  0.326708D+00 -0.240310D+01  0.266783D+01 -0.111859D+01
               116           117           118           119           120 
      1   0.862939D+00 -0.111859D+01  0.547384D+01 -0.113606D+01  0.307971D+01
      2  -0.392050D+01  0.352252D+01 -0.113606D+01  0.955101D+00 -0.593491D+00
      3   0.352252D+01 -0.390853D+01  0.307971D+01 -0.593491D+00  0.317146D+01
               121           122           123           124           125 
      1  -0.906952D+00  0.884620D+00 -0.936073D+00  0.518008D+01 -0.140534D+01
      2   0.884620D+00 -0.277128D+00  0.642813D+00 -0.140534D+01  0.152205D+01
      3  -0.936073D+00  0.642813D+00 -0.199338D+01  0.439982D+01 -0.189352D+01
               126 
      1   0.439982D+01
      2  -0.189352D+01
      3   0.637012D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.956600D+00 -0.648765D+00 -0.628202D+00  0.297546D+01  0.418231D+01
      2   0.523463D+01 -0.151204D+01 -0.991203D+00  0.359232D+00 -0.210259D+01
      3   0.563807D+01  0.643745D+01  0.140805D+00  0.107864D+02 -0.449356D+01
                 6             7             8             9            10 
      1  -0.488167D+01  0.307729D+01  0.199366D+01 -0.441576D+01 -0.675862D-01
      2  -0.194309D+01 -0.101414D+02 -0.173074D+01 -0.313662D+01 -0.156268D+02
      3  -0.118264D+01 -0.172150D+01 -0.113176D+01 -0.789253D+00 -0.130584D+02
                11            12            13            14            15 
      1   0.104102D+01  0.976348D+00 -0.185132D+00  0.154726D+01 -0.832547D+01
      2   0.137124D+01  0.260072D+01  0.326675D+00 -0.178376D+01  0.617486D+01
      3  -0.861542D+01  0.827398D-01  0.131169D+02 -0.273430D+01  0.246059D+01
                16            17            18            19            20 
      1  -0.667561D-01  0.769515D+01 -0.275633D+01 -0.163364D+01  0.277165D+00
      2  -0.151974D+02  0.611844D+01 -0.203589D+02  0.648584D+01  0.600224D+00
      3   0.235268D+00  0.628731D+01 -0.569926D+01  0.350551D+01 -0.695637D+01
                21            22            23            24            25 
      1   0.972356D-01 -0.366968D+01  0.143151D+01  0.168857D+01 -0.492381D+00
      2   0.471581D+01  0.180657D+01 -0.952845D-01  0.151747D+01 -0.640157D+01
      3   0.702204D+00 -0.821197D+00 -0.219534D+01  0.313597D+01  0.640119D+00
                26            27            28            29            30 
      1   0.365649D+01 -0.163816D+00  0.198084D+01  0.548935D+00 -0.172442D+01
      2  -0.170900D+01 -0.334116D+01  0.243839D+00 -0.206945D-01  0.342196D+01
      3   0.211504D+01  0.782026D+00 -0.189631D+02 -0.532081D+01 -0.291014D+01
                31            32            33            34            35 
      1   0.193367D+01 -0.684395D+01 -0.158658D+01 -0.289007D+01  0.959988D+01
      2   0.673342D+00 -0.812635D+00 -0.439684D+00 -0.325238D+01  0.293285D+00
      3   0.922131D+00  0.182374D+01 -0.115906D+01 -0.467672D+01  0.145073D+01
                36            37            38            39            40 
      1  -0.606335D+01 -0.667680D+00  0.162171D+01  0.292358D+01  0.217504D+01
      2  -0.153553D+01 -0.100814D+02 -0.914966D+00 -0.493982D+01  0.411873D+01
      3   0.193070D+01 -0.102664D+02  0.341699D+01  0.120252D+01  0.661254D+01
                41            42            43            44            45 
      1  -0.636971D+01  0.570120D+01 -0.318751D+00  0.612136D+01  0.655900D+01
      2  -0.107669D+01 -0.426523D+01 -0.175676D+02 -0.981729D+00  0.606471D+01
      3   0.143129D+02 -0.889781D+00 -0.216826D+01 -0.277552D+01  0.439593D+00
                46            47            48            49            50 
      1   0.175988D+00  0.814825D+00 -0.422203D+01  0.406056D+00  0.325679D+01
      2   0.204960D+01  0.124189D+01  0.644444D+01 -0.529932D+01  0.235634D+01
      3  -0.173340D-01 -0.839746D+01 -0.188953D+01  0.529262D+01 -0.216299D+02
                51            52            53            54            55 
      1  -0.979537D+01 -0.114419D+00  0.203738D+01 -0.261404D+01 -0.212479D+01
      2   0.681996D+01  0.338339D+01  0.555661D+01  0.290703D+01  0.229883D+01
      3  -0.254792D+01  0.164401D+00 -0.132828D+01 -0.576611D+01 -0.545459D+01
                56            57            58            59            60 
      1  -0.492384D+01  0.225946D+01 -0.505703D+01 -0.274432D+01 -0.252692D+01
      2   0.337973D+01  0.815254D+01  0.118710D+01  0.115360D+01 -0.388910D-01
      3  -0.165135D+02 -0.483855D+00 -0.144150D+02 -0.789602D+01  0.276797D+01
                61            62            63            64            65 
      1   0.101866D+01  0.293635D+01 -0.173737D+01  0.114902D+00 -0.654089D+00
      2   0.559995D+01 -0.179439D+01 -0.780749D+01  0.131320D+01 -0.354858D+00
      3   0.111171D+01  0.185623D+01  0.241169D+01 -0.294541D+00  0.582923D+00
                66            67            68            69            70 
      1   0.471191D-01  0.545997D+00  0.869069D+00 -0.513985D+00  0.360802D+00
      2   0.885647D-02 -0.109749D+01  0.102142D+01  0.279790D+00 -0.321435D+01
      3  -0.621851D+00  0.270922D+01 -0.295370D+00 -0.857029D+00  0.148990D+01
                71            72            73            74            75 
      1   0.331036D+01 -0.943715D+00  0.148795D+01 -0.108671D+01 -0.686535D+00
      2   0.687343D+00  0.234819D+01  0.184505D+01  0.460440D+00  0.102326D+01
      3  -0.685329D+00 -0.755535D+00  0.617897D+00 -0.285448D+01 -0.912195D+00
                76            77            78            79            80 
      1  -0.100747D+01  0.558992D+00  0.907212D+00 -0.149052D+01  0.236917D+01
      2  -0.102660D+01  0.993154D+00  0.119218D+01 -0.442874D+01  0.167138D+00
      3  -0.461649D+00 -0.158855D+00 -0.496441D+00 -0.282098D+01  0.315823D+00
                81            82            83            84            85 
      1   0.531953D+01 -0.124686D+01 -0.587993D+00 -0.791665D+00 -0.163001D+01
      2   0.455991D+01  0.542888D+00  0.757872D+00  0.148589D+01  0.168912D+01
      3   0.227731D+01  0.303927D+01 -0.204877D+01 -0.296602D-01  0.513316D+01
                86            87            88            89            90 
      1  -0.357408D+01 -0.202716D+01 -0.104766D+01 -0.284369D+00  0.254336D+00
      2   0.181421D+01 -0.228849D+00 -0.431682D+00 -0.211092D+00 -0.151091D+00
      3   0.500836D+01  0.206683D+00  0.146557D+01  0.757301D+00  0.127341D+01
                91            92            93            94            95 
      1   0.352290D+01  0.412009D+01  0.193996D+00  0.507485D+01  0.416935D+01
      2  -0.287271D+01 -0.244874D+01 -0.187423D+01 -0.851104D+00 -0.387114D+01
      3   0.958216D+01  0.995019D+01 -0.115867D+01  0.133764D+02  0.153706D+02
                96            97            98            99           100 
      1  -0.196297D+01  0.506847D+00  0.956782D+00 -0.148486D+01 -0.296000D+01
      2  -0.307512D+01 -0.184159D+01 -0.245667D+01 -0.893191D+00 -0.880699D+00
      3  -0.237802D+00 -0.930273D+00  0.695421D+00  0.791259D+00  0.247236D+02
               101           102           103           104           105 
      1  -0.613110D+00 -0.292027D+01 -0.365880D+00 -0.105174D+01 -0.128976D+01
      2   0.533978D+00  0.585031D+00  0.270692D-02  0.463987D+00  0.135460D+01
      3  -0.342839D+01  0.327931D+01  0.357508D+01  0.131893D+01 -0.549383D+00
               106           107           108           109           110 
      1  -0.360091D+00 -0.558259D+00 -0.100190D+01  0.305365D+00 -0.120374D+01
      2  -0.211173D+01  0.157881D+01  0.406042D+00  0.645176D-01 -0.428059D+00
      3   0.734294D+01 -0.998454D+00 -0.717413D+00 -0.130284D+01  0.326686D+00
               111           112           113           114           115 
      1   0.343108D+01 -0.383066D+00  0.396043D+01 -0.607313D+01  0.168483D+01
      2   0.707099D+00  0.486517D+00  0.489508D+00 -0.807525D+00 -0.163158D+01
      3   0.460558D+00  0.308695D+01  0.755690D+00 -0.568982D+00 -0.273045D+01
               116           117           118           119           120 
      1  -0.494337D+01  0.816474D+01  0.156016D+00  0.129450D+01  0.104431D+01
      2  -0.883673D+00  0.144593D+01  0.884338D+01 -0.144588D+01  0.107231D+02
      3   0.159725D+00 -0.610814D+00  0.187161D+01 -0.517793D+01  0.922341D+00
               121           122           123           124           125 
      1  -0.272973D+00 -0.612064D+00 -0.137742D+01  0.511310D+00  0.370831D+01
      2  -0.237547D+01  0.144987D+01 -0.654047D+01  0.100271D+02 -0.501457D+01
      3  -0.170400D+01  0.119324D+01 -0.619685D+00  0.259826D+01 -0.671824D+01
               126 
      1   0.209895D+01
      2   0.200296D+02
      3   0.443240D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.540251D+02 -0.302805D+01  0.289960D+01 -0.775662D+01  0.162544D+02
      2   0.274860D+02  0.142614D+01 -0.205566D+01  0.180083D+01 -0.157720D+02
      3   0.265391D+02  0.160191D+01 -0.843941D+00  0.595579D+01 -0.482367D+00
      4   0.147836D+01 -0.126130D+02 -0.299439D+01  0.135957D+02  0.198571D+01
      5   0.698577D+01 -0.272217D+01 -0.873063D+01  0.253958D+01  0.858157D-01
      6  -0.222845D+01  0.975665D+00 -0.435166D+00  0.146362D+01  0.504975D+00
                 6             7             8             9            10 
      1   0.581265D+01  0.493099D+01  0.423990D+01  0.973774D+01  0.839796D+02
      2  -0.394199D+00 -0.578985D+01 -0.950994D+00  0.241524D+01 -0.390022D+02
      3  -0.541845D+01  0.858852D+00 -0.328890D+01 -0.121530D+02 -0.449775D+02
      4  -0.885086D+00  0.938392D+00  0.343905D+01 -0.190211D+01  0.485704D+01
      5  -0.380266D+01  0.430680D+01 -0.230278D-01 -0.372341D+01 -0.283743D+02
      6   0.479047D+01 -0.124800D+01  0.247714D+01  0.114441D+01  0.407977D+01
                11            12            13            14            15 
      1   0.109302D+02 -0.243117D+02  0.207569D+02 -0.277992D+01 -0.121853D+01
      2  -0.853015D+01  0.126981D+02 -0.169788D+02  0.190417D+02  0.132756D+01
      3  -0.240004D+01  0.116136D+02 -0.377815D+01 -0.162618D+02 -0.109034D+00
      4   0.256605D+02  0.544439D+01  0.295082D+02 -0.621927D+01 -0.469820D+01
      5   0.523814D+01  0.561434D+01  0.453961D+01 -0.403447D+01  0.124275D+02
      6  -0.366363D+00  0.171511D+01 -0.686827D+00  0.492443D+01  0.116054D+02
                16            17            18            19            20 
      1  -0.289280D+02 -0.346024D+00 -0.809176D+01  0.289590D+01 -0.199612D+01
      2   0.191506D+02 -0.198846D+01 -0.431978D+01  0.132151D+00 -0.790350D+00
      3   0.977736D+01  0.233449D+01  0.124115D+02 -0.302805D+01  0.278647D+01
      4   0.859245D+01 -0.906607D+01  0.102032D+02 -0.244496D+01  0.709089D+01
      5   0.124504D+02  0.107758D+02 -0.397860D+02  0.358706D+01  0.181913D+01
      6   0.130529D+01  0.146899D+02  0.930947D+01 -0.615970D+00 -0.273325D+01
                21            22            23            24            25 
      1   0.143139D+01  0.345036D+01  0.605484D+01  0.439802D+01 -0.610514D+01
      2  -0.204609D+01 -0.283967D+01 -0.618209D+01  0.269627D+01  0.142768D+01
      3   0.614709D+00 -0.610691D+00  0.127249D+00 -0.709429D+01  0.467746D+01
      4   0.267091D+01 -0.756400D+01  0.791155D+01  0.217888D+01  0.491600D+01
      5   0.459460D+01  0.188644D+01  0.185671D+01  0.219012D+01 -0.856246D+00
      6  -0.195957D+00  0.311082D+01 -0.527955D+00 -0.935590D+01  0.828202D+00
                26            27            28            29            30 
      1   0.574680D+01  0.465213D+01  0.518759D+01  0.422874D+01 -0.248909D+01
      2   0.139294D+01  0.112119D+02 -0.577536D+01 -0.633739D+01  0.197905D+01
      3  -0.713974D+01 -0.158641D+02  0.587771D+00  0.210864D+01  0.510041D+00
      4  -0.456103D+01 -0.632369D+00 -0.712144D+01 -0.350393D+01 -0.551512D+00
      5  -0.163833D+01 -0.898029D+00 -0.189458D+01  0.453792D+00  0.539926D+01
      6   0.244564D+01 -0.348878D+01 -0.179345D+01  0.651638D-02  0.485231D+01
                31            32            33            34            35 
      1  -0.120823D+01 -0.124785D+02 -0.729420D+01  0.469496D+00 -0.841565D+01
      2  -0.174446D+01  0.214996D+02  0.634955D+01  0.668281D+00  0.834241D+01
      3   0.295269D+01 -0.902113D+01  0.944654D+00 -0.113778D+01  0.732461D-01
      4   0.223099D+01 -0.686071D+01 -0.377379D+01 -0.133343D+01 -0.290845D+01
      5   0.121517D+01 -0.228843D+01  0.370483D+00  0.264536D+01  0.131938D+01
      6  -0.563531D+01  0.111213D+02 -0.385251D+00  0.557576D+01 -0.868481D+01
                36            37            38            39            40 
      1   0.517926D+01 -0.330979D+01  0.109731D+02  0.145976D+00 -0.824836D+01
      2  -0.876044D+01 -0.805402D+00 -0.123527D+02 -0.445722D+01  0.188561D+01
      3   0.358118D+01  0.411519D+01  0.137962D+01  0.431125D+01  0.636275D+01
      4   0.362554D+01 -0.132238D+01 -0.190451D+02 -0.725139D+01 -0.278624D+02
      5  -0.319490D+01 -0.278382D+01 -0.877640D+01 -0.103499D+02 -0.155367D+02
      6   0.127765D+02 -0.107397D+01 -0.264332D+00 -0.303511D+01 -0.131545D+01
                41            42            43            44            45 
      1  -0.163691D+01 -0.173339D+01  0.413093D+01 -0.757251D+01 -0.461535D+01
      2  -0.119465D+02  0.672108D+01 -0.418797D+01  0.273136D+00 -0.193190D+01
      3   0.135834D+02 -0.498768D+01  0.570425D-01  0.729938D+01  0.654724D+01
      4  -0.280862D+02 -0.440680D+01 -0.164861D+02  0.221884D+01 -0.149239D+01
      5  -0.519320D+01 -0.840068D+01 -0.295503D+01 -0.896059D+00  0.559032D+01
      6  -0.509006D+01 -0.922065D+01 -0.162949D+01  0.346006D+01 -0.545784D+01
                46            47            48            49            50 
      1   0.227835D+02  0.917842D+01  0.320679D+01  0.128319D+02 -0.117263D+02
      2  -0.713127D+01  0.255699D+01 -0.243350D+01  0.139222D+01  0.345787D+02
      3  -0.156522D+02 -0.117354D+02 -0.773291D+00 -0.142241D+02 -0.228523D+02
      4   0.264268D+02  0.276936D+02  0.658526D+01  0.345269D+02  0.548806D+02
      5   0.959416D+01  0.714223D+01  0.125931D+02  0.762838D+01  0.102221D+02
      6   0.277198D+01  0.215646D+01  0.580079D+01  0.434975D+01  0.623663D+01
                51            52            53            54            55 
      1  -0.248643D+01  0.318009D+01 -0.103902D+01 -0.129655D+01  0.436404D+02
      2   0.522126D+00 -0.153256D+01  0.124017D+01 -0.643410D+00 -0.265216D+02
      3   0.196431D+01 -0.164754D+01 -0.201146D+00  0.193996D+01 -0.171188D+02
      4   0.864880D+01  0.708879D+01  0.602774D+01  0.144110D+02 -0.186583D+02
      5   0.152178D+02  0.149033D+02  0.144382D+02  0.107759D+02 -0.140470D+02
      6   0.147974D+02  0.689954D+01  0.121974D+02  0.660301D+01  0.241757D+01
                56            57            58            59            60 
      1  -0.631201D+01 -0.718429D+01  0.724242D+01  0.129039D+02 -0.271566D+01
      2   0.137228D+01  0.918007D+01 -0.782267D+01 -0.474157D+01  0.214032D+00
      3   0.493973D+01 -0.199579D+01  0.580251D+00 -0.816229D+01  0.250163D+01
      4   0.206892D+02  0.560340D+01  0.206731D+02 -0.530076D+01 -0.243268D+01
      5   0.495377D+01  0.175337D+02  0.121037D+01 -0.414876D+01 -0.120649D+01
      6  -0.124610D+01 -0.369609D+01 -0.507424D+00  0.177319D+01  0.704238D+01
                61            62            63            64            65 
      1  -0.343127D+01  0.314876D+01  0.370706D+01  0.368673D-01  0.114400D+00
      2   0.459715D+01 -0.246840D+01 -0.113331D+02 -0.346630D+01  0.807069D+00
      3  -0.116588D+01 -0.680357D+00  0.762600D+01  0.342944D+01 -0.921468D+00
      4   0.760213D+01 -0.533642D+01 -0.689492D+01 -0.489753D+00  0.629272D+00
      5   0.169266D+02 -0.637355D+01 -0.174530D+02 -0.771263D+00  0.108977D+01
      6  -0.203686D+01  0.503616D+01  0.327518D+01  0.118725D+01 -0.249055D+00
                66            67            68            69            70 
      1   0.108877D+01  0.211170D+00 -0.472286D+01 -0.385645D+01  0.143325D+01
      2   0.777457D+00  0.859637D+00  0.386361D-01 -0.188470D+01  0.846239D+00
      3  -0.186623D+01 -0.107081D+01  0.468422D+01  0.574115D+01 -0.227949D+01
      4   0.530649D+00  0.277050D+01 -0.926357D+00 -0.117900D+00  0.888916D+00
      5   0.445614D+01  0.114953D+01 -0.187779D+00 -0.500260D+00  0.413265D+01
      6  -0.140036D+00 -0.854631D+00  0.402568D+01  0.807300D+01 -0.845769D+00
                71            72            73            74            75 
      1  -0.270243D+01 -0.192203D+02  0.487793D+01 -0.364921D+00  0.251653D+01
      2  -0.454852D+01 -0.146406D+02 -0.513138D+01  0.350172D+00  0.110912D+01
      3   0.725095D+01  0.338609D+02  0.253446D+00  0.147486D-01 -0.362565D+01
      4   0.112279D+01  0.275383D+00 -0.116641D+01  0.283892D+01 -0.408363D-01
      5   0.487034D+00  0.820854D+00 -0.238508D+01  0.822992D+00  0.634117D+01
      6   0.495193D+01  0.603446D+01  0.639329D+00 -0.498698D+00  0.398878D+00
                76            77            78            79            80 
      1   0.431286D+01 -0.413112D+01 -0.253384D+01  0.953825D+01  0.109542D+01
      2  -0.119540D+01  0.136112D+01 -0.172985D+01 -0.882132D+00 -0.129469D+01
      3  -0.311747D+01  0.276999D+01  0.426369D+01 -0.865612D+01  0.199273D+00
      4  -0.402572D+00  0.752509D+00  0.100191D+01 -0.210954D+01  0.992100D-01
      5   0.451816D+00  0.457654D+00  0.148963D+01  0.207355D+01 -0.943539D+00
      6  -0.704925D+00  0.211180D+00  0.370773D+01  0.129199D+01  0.334922D+01
                81            82            83            84            85 
      1  -0.229892D+02  0.109935D+01 -0.220773D+01  0.371688D+00 -0.108154D+02
      2  -0.846964D+01  0.215041D+01  0.313949D+01 -0.119725D+00  0.100392D+02
      3   0.314588D+02 -0.324975D+01 -0.931758D+00 -0.251963D+00  0.776160D+00
      4   0.669337D+00  0.200700D+01  0.721327D+01  0.557559D+00  0.179259D+01
      5   0.458822D+01 -0.903880D-01 -0.113091D+00  0.234632D+01 -0.785880D+00
      6  -0.480701D+01  0.298026D+00 -0.967105D+00  0.345146D+00 -0.190045D+01
                86            87            88            89            90 
      1  -0.225696D+02  0.319077D+01 -0.255669D+01 -0.385918D+00 -0.446613D+01
      2   0.298946D+02 -0.229524D+01  0.235671D+01  0.103753D+01  0.245383D+01
      3  -0.732499D+01 -0.895527D+00  0.199982D+00 -0.651614D+00  0.201230D+01
      4  -0.386853D+01  0.601814D+00 -0.664413D-01 -0.137021D+01 -0.279335D+00
      5  -0.241852D+00 -0.781465D-01  0.699216D+00 -0.639248D+00 -0.312702D+00
      6  -0.580914D+01  0.377473D+01  0.150584D+01  0.446755D+01 -0.105256D+01
                91            92            93            94            95 
      1  -0.136286D+02 -0.564269D+01  0.213841D+01 -0.149333D+02 -0.907732D+01
      2   0.109431D+02  0.206687D+01 -0.323752D+01  0.837934D+01  0.101846D+02
      3   0.268545D+01  0.357582D+01  0.109911D+01  0.655397D+01 -0.110727D+01
      4  -0.251190D+01 -0.223104D+01 -0.949768D+00  0.490503D+01 -0.160158D+02
      5   0.377457D+01  0.994360D-01 -0.393644D+01  0.529375D+01 -0.327577D+01
      6  -0.158835D+01 -0.779691D+00 -0.127219D+01 -0.334159D+01  0.444716D+01
                96            97            98            99           100 
      1   0.104978D+01  0.142346D+01 -0.274685D+01 -0.294137D+01  0.527067D+01
      2  -0.789132D+00 -0.968410D+00  0.205736D+01  0.743629D+00  0.138785D+01
      3  -0.260651D+00 -0.455046D+00  0.689485D+00  0.219774D+01 -0.665852D+01
      4  -0.521383D+01  0.522956D+00 -0.267396D+01 -0.295972D+01  0.111836D+02
      5  -0.624743D+01  0.235627D+01 -0.286561D+01 -0.278139D+01 -0.527443D+00
      6   0.363364D+01 -0.103383D+01  0.403611D+01  0.433429D+01  0.252661D+01
               101           102           103           104           105 
      1  -0.112113D+02  0.200171D+01 -0.382662D+01 -0.324581D+01 -0.142866D-01
      2   0.148954D+02  0.356812D-01  0.691455D+01  0.773284D+01  0.520410D+00
      3  -0.368410D+01 -0.203739D+01 -0.308793D+01 -0.448703D+01 -0.506124D+00
      4   0.948360D+01  0.170498D+01  0.870787D+01  0.873592D+01  0.101635D+01
      5   0.287714D-01 -0.286477D+00 -0.849504D+00  0.459588D+00  0.174563D+01
      6  -0.114900D+01  0.447482D+01 -0.201253D+00 -0.646261D-01  0.272358D+01
               106           107           108           109           110 
      1  -0.231244D-01 -0.245501D+01 -0.179552D+01 -0.124508D+01  0.220122D+01
      2   0.439525D+00  0.265462D+01  0.103538D+01  0.166605D+01 -0.219549D+01
      3  -0.416401D+00 -0.199605D+00  0.760143D+00 -0.420973D+00 -0.572756D-02
      4   0.343702D+01  0.164143D+01  0.192441D+01 -0.235504D+01  0.512761D+01
      5   0.162058D+01  0.164441D+01  0.288248D+00  0.144405D+01 -0.261810D+01
      6   0.373353D+00  0.395423D+01  0.151603D+01 -0.302064D+01  0.391667D+01
               111           112           113           114           115 
      1  -0.158837D+01  0.162635D+01 -0.148659D+02  0.909211D+01 -0.302744D+01
      2   0.827963D+00 -0.200028D+01  0.171910D+02 -0.951244D+01  0.152290D+01
      3   0.760404D+00  0.373938D+00 -0.232515D+01  0.420331D+00  0.150453D+01
      4  -0.351239D+01  0.444147D+01 -0.280019D+01  0.189355D+01 -0.341041D+01
      5   0.376540D+01 -0.111064D+01  0.143856D+01 -0.114032D+01  0.341118D+01
      6  -0.619271D+01  0.217992D+01 -0.165513D+02  0.156497D+02 -0.513116D+01
               116           117           118           119           120 
      1   0.141254D+02 -0.143711D+02  0.283252D+02 -0.585208D+01  0.183331D+02
      2  -0.117519D+02  0.782274D+01 -0.188764D+02  0.308613D+01 -0.115380D+02
      3  -0.237352D+01  0.654837D+01 -0.944882D+01  0.276595D+01 -0.679511D+01
      4   0.337941D+01 -0.428579D+01 -0.912427D+01  0.816386D+01 -0.536060D+01
      5  -0.249353D+01  0.334933D+01  0.244087D+02 -0.498201D+01  0.247805D+02
      6   0.201758D+02 -0.205697D+02 -0.359971D+01  0.119827D+01 -0.261979D+01
               121           122           123           124           125 
      1  -0.414909D+01  0.556097D+00 -0.331471D+01  0.196849D+02 -0.431701D+01
      2   0.232107D+01  0.494850D-01  0.150289D+01 -0.169284D+02  0.438059D+01
      3   0.182802D+01 -0.605582D+00  0.181182D+01 -0.275647D+01 -0.635856D-01
      4   0.709296D+01 -0.343006D+01  0.510737D+01 -0.105807D+02  0.798768D+01
      5  -0.763188D+01  0.484985D+01 -0.120651D+02  0.327018D+02 -0.120335D+02
      6   0.296412D+01 -0.276521D+01  0.728476D+01 -0.509646D+01  0.464124D+01
               126 
      1   0.137637D+02
      2  -0.183313D+02
      3   0.456759D+01
      4  -0.126622D+02
      5   0.416570D+02
      6  -0.718122D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:43:09 2021, MaxMem=  5368709120 cpu:            2459.0 elap:             308.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.90368 -19.19407 -19.14000 -14.35982 -10.32128
 Alpha  occ. eigenvalues --  -10.25779 -10.24352  -7.96468  -5.92886  -5.92541
 Alpha  occ. eigenvalues --   -5.91878  -1.11509  -1.03467  -0.93672  -0.81712
 Alpha  occ. eigenvalues --   -0.73806  -0.64586  -0.60947  -0.55050  -0.54074
 Alpha  occ. eigenvalues --   -0.50613  -0.45961  -0.45727  -0.44557  -0.43072
 Alpha  occ. eigenvalues --   -0.40011  -0.38468  -0.35528  -0.32772  -0.31394
 Alpha  occ. eigenvalues --   -0.27574  -0.26521
 Alpha virt. eigenvalues --   -0.03193  -0.02065  -0.01282   0.00297   0.00785
 Alpha virt. eigenvalues --    0.02156   0.02573   0.03077   0.04052   0.04838
 Alpha virt. eigenvalues --    0.05860   0.06701   0.07700   0.07827   0.08286
 Alpha virt. eigenvalues --    0.08922   0.09601   0.10156   0.10239   0.11144
 Alpha virt. eigenvalues --    0.11569   0.12214   0.12732   0.13016   0.13258
 Alpha virt. eigenvalues --    0.14104   0.14693   0.15892   0.17159   0.17464
 Alpha virt. eigenvalues --    0.18084   0.19144   0.20168   0.20462   0.21916
 Alpha virt. eigenvalues --    0.22486   0.23225   0.23964   0.24832   0.25350
 Alpha virt. eigenvalues --    0.25902   0.26866   0.27582   0.27944   0.29185
 Alpha virt. eigenvalues --    0.30912   0.31813   0.32708   0.33168   0.33836
 Alpha virt. eigenvalues --    0.35174   0.35623   0.36629   0.37206   0.37792
 Alpha virt. eigenvalues --    0.38848   0.40278   0.40783   0.42056   0.42344
 Alpha virt. eigenvalues --    0.42455   0.43759   0.44291   0.45561   0.47238
 Alpha virt. eigenvalues --    0.48356   0.48877   0.49847   0.50236   0.51799
 Alpha virt. eigenvalues --    0.52679   0.53307   0.55986   0.56045   0.57442
 Alpha virt. eigenvalues --    0.58720   0.60221   0.60540   0.60902   0.62229
 Alpha virt. eigenvalues --    0.63628   0.65785   0.67557   0.67999   0.68363
 Alpha virt. eigenvalues --    0.69270   0.70719   0.71660   0.72936   0.74079
 Alpha virt. eigenvalues --    0.76040   0.78224   0.81417   0.82022   0.82720
 Alpha virt. eigenvalues --    0.83987   0.84878   0.88315   0.90011   0.90069
 Alpha virt. eigenvalues --    0.92266   0.93263   0.95848   0.97274   0.97432
 Alpha virt. eigenvalues --    0.97798   1.00790   1.01995   1.02613   1.04022
 Alpha virt. eigenvalues --    1.05272   1.07367   1.09514   1.09682   1.10790
 Alpha virt. eigenvalues --    1.13584   1.17314   1.17677   1.18712   1.21851
 Alpha virt. eigenvalues --    1.22977   1.24412   1.27951   1.30607   1.33876
 Alpha virt. eigenvalues --    1.38049   1.40007   1.42149   1.45052   1.46144
 Alpha virt. eigenvalues --    1.48964   1.52861   1.53883   1.56321   1.61038
 Alpha virt. eigenvalues --    1.62033   1.63269   1.64701   1.65482   1.66178
 Alpha virt. eigenvalues --    1.71379   1.74710   1.76072   1.77067   1.77570
 Alpha virt. eigenvalues --    1.78850   1.84166   1.86341   1.89173   1.90556
 Alpha virt. eigenvalues --    1.94573   1.96277   2.01107   2.01587   2.03897
 Alpha virt. eigenvalues --    2.06029   2.08853   2.10177   2.12411   2.13218
 Alpha virt. eigenvalues --    2.14437   2.16666   2.19491   2.23429   2.25942
 Alpha virt. eigenvalues --    2.26715   2.30400   2.35456   2.37352   2.37887
 Alpha virt. eigenvalues --    2.45576   2.47151   2.55968   2.58007   2.60435
 Alpha virt. eigenvalues --    2.65162   2.68500   2.74923   2.79490   2.82326
 Alpha virt. eigenvalues --    2.93688   2.97060   3.00809   3.17728   3.26866
 Alpha virt. eigenvalues --    3.35797   3.36210   3.37642   3.39773   3.42419
 Alpha virt. eigenvalues --    3.44254   3.45450   3.54584   3.70108   3.81256
 Alpha virt. eigenvalues --    3.95277
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.988647   0.184068   0.104352  -0.027427  -0.163064   0.051942
     2  S    0.184068  15.755855  -0.043893   0.005635  -0.038390   0.006021
     3  C    0.104352  -0.043893   6.987031   0.041095  -0.937731   0.035116
     4  N   -0.027427   0.005635   0.041095   6.508441   0.052340  -0.018156
     5  C   -0.163064  -0.038390  -0.937731   0.052340   6.685719   0.091932
     6  O    0.051942   0.006021   0.035116  -0.018156   0.091932   8.396996
     7  O    0.030611   0.003191   0.223727  -0.089262  -0.335393  -0.040803
     8  H    0.150342  -0.059978  -0.905823  -0.007519  -0.047147   0.032098
     9  H    0.184532  -0.125862  -0.114307  -0.015733  -0.097670   0.022005
    10  H    0.018820  -0.186362   0.021997   0.015949   0.069828  -0.020236
    11  H    0.003205  -0.002651  -0.213471   0.094132   0.013615   0.007642
    12  H   -0.045288   0.005800  -0.165238   0.284335   0.011177   0.000690
    13  H   -0.040792   0.008956   0.220601   0.346599  -0.062947   0.003058
    14  H    0.016921   0.229757   0.024564  -0.001317  -0.000819   0.000305
               7          8          9         10         11         12
     1  C    0.030611   0.150342   0.184532   0.018820   0.003205  -0.045288
     2  S    0.003191  -0.059978  -0.125862  -0.186362  -0.002651   0.005800
     3  C    0.223727  -0.905823  -0.114307   0.021997  -0.213471  -0.165238
     4  N   -0.089262  -0.007519  -0.015733   0.015949   0.094132   0.284335
     5  C   -0.335393  -0.047147  -0.097670   0.069828   0.013615   0.011177
     6  O   -0.040803   0.032098   0.022005  -0.020236   0.007642   0.000690
     7  O    8.421086   0.006255   0.034352  -0.010448   0.189047   0.004723
     8  H    0.006255   2.315654   0.135989  -0.078790   0.019005   0.056695
     9  H    0.034352   0.135989   1.821363  -0.367587  -0.008618  -0.012702
    10  H   -0.010448  -0.078790  -0.367587   1.940173   0.008384   0.021868
    11  H    0.189047   0.019005  -0.008618   0.008384   0.703326   0.007474
    12  H    0.004723   0.056695  -0.012702   0.021868   0.007474   1.004573
    13  H   -0.003670  -0.151069  -0.000795  -0.010691  -0.019151  -0.176319
    14  H    0.000563  -0.007534  -0.086812  -0.028317   0.000039  -0.007517
              13         14
     1  C   -0.040792   0.016921
     2  S    0.008956   0.229757
     3  C    0.220601   0.024564
     4  N    0.346599  -0.001317
     5  C   -0.062947  -0.000819
     6  O    0.003058   0.000305
     7  O   -0.003670   0.000563
     8  H   -0.151069  -0.007534
     9  H   -0.000795  -0.086812
    10  H   -0.010691  -0.028317
    11  H   -0.019151   0.000039
    12  H   -0.176319  -0.007517
    13  H    0.937134   0.001403
    14  H    0.001403   0.883094
 Mulliken charges:
               1
     1  C    0.543132
     2  S    0.257854
     3  C    0.721982
     4  N   -0.189111
     5  C    0.758549
     6  O   -0.568609
     7  O   -0.433980
     8  H   -0.458178
     9  H   -0.368155
    10  H   -0.394589
    11  H    0.198022
    12  H    0.009729
    13  H   -0.052317
    14  H   -0.024328
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.219612
     2  S    0.233525
     3  C    0.263804
     4  N   -0.231699
     5  C    0.758549
     6  O   -0.568609
     7  O   -0.235958
 Electronic spatial extent (au):  <R**2>=           1109.6326
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1578    Y=              2.7748    Z=              0.3045  Tot=              4.2148
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.5286   YY=            -50.6626   ZZ=            -46.9846
   XY=             -5.5249   XZ=              3.9758   YZ=             -4.1122
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.8034   YY=              2.0627   ZZ=              5.7407
   XY=             -5.5249   XZ=              3.9758   YZ=             -4.1122
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             18.4893  YYY=             14.7566  ZZZ=              0.1174  XYY=              1.5451
  XXY=             10.3704  XXZ=              8.0004  XZZ=             -1.2306  YZZ=              3.1764
  YYZ=             -0.7111  XYZ=              0.2345
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1077.4480 YYYY=           -281.0694 ZZZZ=           -109.9431 XXXY=            -21.6274
 XXXZ=             37.4044 YYYX=            -12.5229 YYYZ=            -13.5708 ZZZX=              5.9538
 ZZZY=             -4.2487 XXYY=           -240.6736 XXZZ=           -187.0571 YYZZ=            -63.0830
 XXYZ=            -12.8051 YYXZ=             -2.4341 ZZXY=             -4.5248
 N-N= 3.761114423603D+02 E-N=-2.456185318618D+03  KE= 7.191559586919D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:43:09 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.26382215D+00 1.11108557D+00 1.24443413D-01
 Polarizability= 8.42091625D+01 1.05342687D+00 6.66948161D+01
                -4.60358257D-01 9.06411348D-01 5.62830567D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5398    0.5398        0.3791    0.3792
 2     -0.5398   -0.5398       -1.2201   -1.2181       -8.6107   -8.6094
 3     -0.3791   -0.3792       15.1461   15.1476        1.2154    1.2181
 4      1.2201    1.2181       -0.0000    0.0000       -0.3802   -0.3792
 5     -6.5354   -6.5383        0.3802    0.3792        0.5375    0.5398
 6     -1.2154   -1.2181       -0.5375   -0.5398        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.6194   -1.6194        1.1376    1.1376
 2      3.6544    3.6544       -0.0000    0.0000        1.1376    1.1376
 3      3.6544    3.6544       -1.6194   -1.6194       -0.0000    0.0000
 4     -1.6194   -1.6194       -3.6544   -3.6544      -25.8281  -25.8281
 5     -1.1376   -1.1376       45.4429   45.4429        3.6544    3.6544
 6    -19.6148  -19.6148        1.1376    1.1376        1.6194    1.6194
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0033    0.0000       -2.1416   -2.1592       -1.4883   -1.5168
 2      2.2097    2.1592        4.8885    4.8725       34.4162   34.4375
 3      1.5665    1.5168      -60.6251  -60.5905       -4.8440   -4.8725
 4     -4.8770   -4.8725        0.0345    0.0000        1.3533    1.5168
 5     26.1776   26.1530       -1.4347   -1.5168       -2.3046   -2.1592
 6      4.8324    4.8725        2.2852    2.1592       -0.0719    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0211    0.0000        7.3525    7.3325       -8.0949   -8.0882
 2     -7.2532   -7.3325       11.7644   11.7186       19.5400   19.4595
 3      7.9291    8.0882        3.3277    3.3319      -11.6706  -11.7186
 4    -11.7214  -11.7186        0.1399    0.0000        7.8730    8.0882
 5    -22.8591  -22.7914       -7.9515   -8.0882        7.6599    7.3325
 6     11.7369   11.7186       -7.5322   -7.3325        0.2415    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.1056  -18.1551       24.0224   24.0723       26.3535   26.3353
 2    -35.6688  -35.7258       22.9613   22.7803       26.0659   26.3353
 3    -35.6469  -35.7258       24.2235   24.0723       30.6600   30.9184
 4      1.2477    1.2920       17.7544   17.5707       21.0092   21.1031
 5      4.5020    4.5832       25.8045   25.8723      -17.6616  -17.5707
 6    -47.1750  -46.9754       -4.3457   -4.5832       -0.8436   -1.2920
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3624   -1.6798    0.0017    0.0030    0.0039    2.5991
 Low frequencies ---   63.7493  106.0932  129.6830
 Diagonal vibrational polarizability:
       24.6136092      39.9488410      17.0381992
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.7472               106.0931               129.6827
 Red. masses --      3.2528                 2.9918                 1.4071
 Frc consts  --      0.0078                 0.0198                 0.0139
 IR Inten    --      0.2202                11.5580                 7.1076
 RamAct Fr= 1--      1.1095                 0.2068                 0.5459
  Dep-P Fr= 1--      0.7219                 0.5856                 0.6205
  Dep-U Fr= 1--      0.8385                 0.7387                 0.7658
 Alpha2 Fr= 1--      0.0005                 0.0006                 0.0013
 Beta2  Fr= 1--      0.1550                 0.0255                 0.0697
 AlphaG Fr= 1--      0.0046                -0.0008                 0.0090
 Gamma2 Fr= 1--      0.6967                 0.2400                -0.1889
 Delta2 Fr= 1--      0.2801                 0.0890                 0.0432
 Raman1 Fr= 1--       4.438                  0.827                  2.184
 ROA1   Fr= 1--      75.841                 25.886                -16.750
 CID1   Fr= 1--      17.090                 31.292                 -7.671
 Raman2 Fr= 1--       1.861                  0.306                  0.836
 ROA2   Fr= 1--      14.479                  5.047                 -4.879
 CID2   Fr= 1--       7.782                 16.519                 -5.836
 Raman3 Fr= 1--       3.721                  0.611                  1.672
 ROA3   Fr= 1--      75.841                 25.886                -16.750
 CID3   Fr= 1--      20.382                 42.363                -10.017
 RC180  Fr= 1--       0.677                  0.477                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.01    -0.01  -0.17  -0.18     0.00  -0.06  -0.10
     2  16     0.01   0.01   0.07    -0.01   0.13   0.08     0.03  -0.02   0.00
     3   6    -0.01  -0.04  -0.08    -0.02  -0.06  -0.08    -0.02   0.02  -0.02
     4   7     0.00  -0.04  -0.15     0.07  -0.07  -0.03     0.01  -0.00   0.07
     5   6    -0.00  -0.00  -0.02    -0.02  -0.00   0.01    -0.01   0.01   0.01
     6   8    -0.12   0.07  -0.14    -0.08  -0.00   0.09     0.01  -0.02   0.07
     7   8     0.14  -0.07   0.22     0.06   0.06   0.01    -0.04   0.03  -0.05
     8   1    -0.02  -0.12  -0.06    -0.10  -0.01  -0.11    -0.06   0.08  -0.04
     9   1    -0.06   0.07  -0.03    -0.12  -0.43  -0.12     0.00  -0.16  -0.07
    10   1     0.01   0.01   0.04     0.10  -0.16  -0.45     0.01  -0.05  -0.19
    11   1     0.16  -0.09   0.21     0.11   0.04  -0.06    -0.02   0.02  -0.03
    12   1     0.07  -0.02  -0.39     0.04  -0.13   0.11     0.04  -0.06   0.02
    13   1    -0.21  -0.07  -0.12     0.19  -0.03  -0.03    -0.01   0.05   0.10
    14   1    -0.13   0.63   0.31    -0.04  -0.55  -0.11    -0.14   0.86   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    176.1380               250.6238               324.8196
 Red. masses --      5.0203                 6.9625                 1.1121
 Frc consts  --      0.0918                 0.2577                 0.0691
 IR Inten    --     11.6287                 0.2546                24.8188
 RamAct Fr= 1--      0.6718                 2.0694                 0.4707
  Dep-P Fr= 1--      0.7224                 0.1657                 0.7423
  Dep-U Fr= 1--      0.8388                 0.2843                 0.8521
 Alpha2 Fr= 1--      0.0003                 0.0307                 0.0001
 Beta2  Fr= 1--      0.0939                 0.0980                 0.0668
 AlphaG Fr= 1--      0.0009                -0.0055                 0.0039
 Gamma2 Fr= 1--     -0.5497                 0.2261                -0.1454
 Delta2 Fr= 1--     -0.2234                 0.0225                 0.2403
 Raman1 Fr= 1--       2.687                  8.278                  1.883
 ROA1   Fr= 1--     -59.915                 22.429                 -6.271
 CID1   Fr= 1--     -22.298                  2.710                 -3.331
 Raman2 Fr= 1--       1.127                  1.177                  0.802
 ROA2   Fr= 1--     -11.405                  5.247                 -5.413
 CID2   Fr= 1--     -10.119                  4.459                 -6.749
 Raman3 Fr= 1--       2.254                  2.353                  1.604
 ROA3   Fr= 1--     -59.915                 22.429                 -6.271
 CID3   Fr= 1--     -26.581                  9.531                 -3.909
 RC180  Fr= 1--       0.678                 -0.431                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.19     0.14   0.08  -0.11     0.00   0.02   0.01
     2  16    -0.01  -0.12   0.09     0.32  -0.05   0.05     0.01  -0.00  -0.01
     3   6    -0.05   0.19  -0.17    -0.06  -0.00   0.02    -0.01   0.00  -0.01
     4   7    -0.10   0.18  -0.09    -0.24   0.03  -0.02    -0.02   0.02  -0.03
     5   6     0.05   0.03  -0.01    -0.12  -0.02   0.05    -0.02  -0.02  -0.00
     6   8     0.22  -0.06   0.11    -0.23   0.03  -0.01    -0.04  -0.01  -0.01
     7   8     0.04  -0.09   0.11    -0.14   0.02  -0.01     0.03  -0.02   0.03
     8   1    -0.09   0.25  -0.19    -0.16   0.03  -0.01     0.00   0.02  -0.00
     9   1    -0.20  -0.02  -0.18     0.19   0.02  -0.09     0.01   0.06  -0.00
    10   1    -0.22   0.10  -0.31     0.17   0.07  -0.12    -0.00   0.02   0.06
    11   1    -0.08   0.00   0.01    -0.12  -0.00   0.02    -0.02   0.04  -0.19
    12   1    -0.14   0.20   0.02    -0.27   0.20  -0.11    -0.20  -0.06   0.64
    13   1    -0.04   0.22  -0.09    -0.42  -0.03  -0.01     0.65   0.01  -0.21
    14   1    -0.24  -0.44   0.11     0.08  -0.50   0.03    -0.01   0.14   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    340.4982               403.7004               544.9987
 Red. masses --      4.0520                 2.9707                 4.5885
 Frc consts  --      0.2768                 0.2853                 0.8030
 IR Inten    --     14.1065                 2.8112                 3.5215
 RamAct Fr= 1--      1.2501                 0.5736                 2.1606
  Dep-P Fr= 1--      0.2253                 0.2031                 0.3939
  Dep-U Fr= 1--      0.3677                 0.3376                 0.5652
 Alpha2 Fr= 1--      0.0159                 0.0077                 0.0164
 Beta2  Fr= 1--      0.0766                 0.0323                 0.2035
 AlphaG Fr= 1--      0.0081                -0.0068                -0.0057
 Gamma2 Fr= 1--      0.1577                -0.1587                 0.5109
 Delta2 Fr= 1--      0.1268                -0.0067                 0.2728
 Raman1 Fr= 1--       5.000                  2.295                  8.643
 ROA1   Fr= 1--      19.196                -15.453                 57.772
 CID1   Fr= 1--       3.839                 -6.735                  6.685
 Raman2 Fr= 1--       0.919                  0.387                  2.442
 ROA2   Fr= 1--       2.770                 -3.756                 10.078
 CID2   Fr= 1--       3.013                 -9.699                  4.126
 Raman3 Fr= 1--       1.839                  0.775                  4.885
 ROA3   Fr= 1--      19.196                -15.453                 57.772
 CID3   Fr= 1--      10.440                -19.952                 11.827
 RC180  Fr= 1--      -0.265                 -0.325                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02    -0.05   0.18  -0.03     0.06  -0.06   0.05
     2  16    -0.03  -0.01   0.00     0.03   0.01   0.00    -0.04  -0.01   0.00
     3   6     0.03  -0.04  -0.08    -0.04   0.02  -0.15     0.15   0.15   0.09
     4   7    -0.22  -0.03   0.16     0.21  -0.04   0.10     0.08   0.27  -0.05
     5   6     0.05  -0.06  -0.09    -0.06  -0.04  -0.07     0.03  -0.11  -0.07
     6   8    -0.08  -0.05   0.05    -0.11  -0.07   0.08    -0.25  -0.06   0.09
     7   8     0.29   0.10  -0.09    -0.03  -0.07  -0.01     0.05  -0.15  -0.07
     8   1     0.17   0.11  -0.10    -0.03   0.07  -0.17     0.33   0.19   0.11
     9   1    -0.07   0.19  -0.03    -0.09   0.53  -0.13     0.07  -0.43   0.15
    10   1    -0.03   0.04   0.15    -0.04   0.14   0.31    -0.02  -0.01  -0.33
    11   1     0.53  -0.02  -0.20    -0.02  -0.10   0.13    -0.07  -0.09  -0.02
    12   1    -0.26   0.12   0.15     0.32  -0.28  -0.04     0.12   0.33  -0.23
    13   1    -0.39   0.08   0.27     0.10   0.24   0.30    -0.02   0.08  -0.14
    14   1    -0.01  -0.00  -0.00    -0.09  -0.13   0.02     0.16   0.09  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    650.8579               670.1143               790.3789
 Red. masses --      4.5565                 5.7286                 6.7141
 Frc consts  --      1.1372                 1.5156                 2.4712
 IR Inten    --      7.0144                10.1681                 3.8062
 RamAct Fr= 1--      1.2891                20.0708                 3.0197
  Dep-P Fr= 1--      0.5319                 0.1490                 0.6670
  Dep-U Fr= 1--      0.6944                 0.2593                 0.8003
 Alpha2 Fr= 1--      0.0054                 0.3111                 0.0045
 Beta2  Fr= 1--      0.1492                 0.8675                 0.4028
 AlphaG Fr= 1--     -0.0021                 0.1454                 0.0010
 Gamma2 Fr= 1--     -0.5190                 0.5289                -1.8887
 Delta2 Fr= 1--      0.2433                 0.3627                 0.0336
 Raman1 Fr= 1--       5.156                 80.283                 12.079
 ROA1   Fr= 1--     -42.041                 62.384               -180.237
 CID1   Fr= 1--      -8.153                  0.777                -14.922
 Raman2 Fr= 1--       1.790                 10.410                  4.833
 ROA2   Fr= 1--     -14.403                  9.792                -45.596
 CID2   Fr= 1--      -8.045                  0.941                 -9.434
 Raman3 Fr= 1--       3.580                 20.819                  9.666
 ROA3   Fr= 1--     -42.041                 62.384               -180.237
 CID3   Fr= 1--     -11.742                  2.996                -18.646
 RC180  Fr= 1--       0.389                 -0.481                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.09     0.29   0.15  -0.22     0.40   0.02  -0.04
     2  16    -0.01  -0.01   0.01    -0.15  -0.04   0.04    -0.10  -0.03   0.04
     3   6    -0.17   0.04   0.18     0.15  -0.04  -0.04     0.07  -0.02  -0.04
     4   7     0.09   0.10  -0.02    -0.02  -0.08   0.00     0.03   0.04  -0.01
     5   6    -0.06  -0.20   0.24     0.22  -0.06   0.24    -0.32   0.04  -0.22
     6   8     0.01  -0.16  -0.17    -0.08   0.14  -0.01     0.07  -0.20  -0.03
     7   8     0.10   0.13  -0.05    -0.07  -0.07  -0.08    -0.08   0.18   0.18
     8   1    -0.44   0.02   0.15    -0.16   0.01  -0.10     0.23   0.07  -0.04
     9   1     0.10  -0.02  -0.03     0.22   0.36  -0.28     0.44   0.01  -0.03
    10   1    -0.03   0.12  -0.16     0.19   0.13   0.06     0.43   0.01   0.04
    11   1     0.42  -0.06  -0.17    -0.20  -0.01   0.12     0.23   0.01  -0.09
    12   1     0.22  -0.12  -0.23    -0.14   0.10   0.20    -0.02   0.17   0.03
    13   1     0.11  -0.00  -0.09    -0.03  -0.03   0.04    -0.09   0.08   0.05
    14   1    -0.27  -0.10   0.11    -0.36  -0.06   0.14     0.07   0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    837.5774               849.7993               879.0396
 Red. masses --      1.8665                 1.5462                 1.1834
 Frc consts  --      0.7715                 0.6579                 0.5388
 IR Inten    --      9.9611                38.3068                67.6491
 RamAct Fr= 1--     16.1021                 2.1376                 2.1024
  Dep-P Fr= 1--      0.1001                 0.7486                 0.5521
  Dep-U Fr= 1--      0.1820                 0.8562                 0.7114
 Alpha2 Fr= 1--      0.2818                 0.0000                 0.0079
 Beta2  Fr= 1--      0.4885                 0.3051                 0.2493
 AlphaG Fr= 1--     -0.1577                 0.0025                 0.0530
 Gamma2 Fr= 1--     -0.5813                 0.6482                -0.0572
 Delta2 Fr= 1--      0.6202                -0.6500                 0.1917
 Raman1 Fr= 1--      64.409                  8.551                  8.409
 ROA1   Fr= 1--     -35.959                 41.430                  0.642
 CID1   Fr= 1--      -0.558                  4.845                  0.076
 Raman2 Fr= 1--       5.862                  3.661                  2.991
 ROA2   Fr= 1--     -18.913                 20.757                 -2.907
 CID2   Fr= 1--      -3.227                  5.670                 -0.972
 Raman3 Fr= 1--      11.724                  7.321                  5.982
 ROA3   Fr= 1--     -35.959                 41.430                  0.642
 CID3   Fr= 1--      -3.067                  5.659                  0.107
 RC180  Fr= 1--      -0.636                  0.712                  0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09   0.04     0.04  -0.13  -0.03     0.03  -0.05  -0.00
     2  16     0.00  -0.00   0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     3   6     0.05   0.01  -0.15    -0.04  -0.05  -0.02    -0.05  -0.01   0.01
     4   7     0.01   0.06  -0.02    -0.03   0.12   0.07    -0.03   0.05  -0.02
     5   6     0.01  -0.07   0.14     0.01   0.01  -0.01     0.00   0.02  -0.03
     6   8    -0.01  -0.03  -0.05     0.00   0.02  -0.00     0.01   0.01   0.02
     7   8    -0.05   0.06   0.01     0.02  -0.02   0.01     0.00  -0.00  -0.05
     8   1    -0.11   0.06  -0.18    -0.15   0.12  -0.08    -0.10  -0.00   0.00
     9   1    -0.19   0.12  -0.05     0.13   0.38  -0.16     0.12   0.10  -0.03
    10   1    -0.07  -0.10   0.19    -0.01  -0.18   0.48    -0.00  -0.07   0.18
    11   1     0.11  -0.05   0.08    -0.21   0.17  -0.35     0.34  -0.33   0.80
    12   1    -0.08   0.15   0.17     0.17  -0.10  -0.36    -0.01  -0.07   0.05
    13   1    -0.11   0.27   0.15     0.17  -0.17  -0.19     0.18   0.00  -0.10
    14   1     0.69   0.19  -0.26    -0.05  -0.05   0.02    -0.07  -0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    898.6714               960.1106              1003.2804
 Red. masses --      1.4791                 1.7972                 1.7796
 Frc consts  --      0.7038                 0.9761                 1.0554
 IR Inten    --     23.2580                94.1396                25.4276
 RamAct Fr= 1--      6.0603                 2.2701                 3.7422
  Dep-P Fr= 1--      0.3831                 0.5086                 0.5460
  Dep-U Fr= 1--      0.5540                 0.6743                 0.7064
 Alpha2 Fr= 1--      0.0476                 0.0108                 0.0146
 Beta2  Fr= 1--      0.5596                 0.2551                 0.4406
 AlphaG Fr= 1--     -0.0399                -0.0276                 0.0096
 Gamma2 Fr= 1--      0.7456                -0.5225                -0.0822
 Delta2 Fr= 1--     -0.4153                -0.0627                -0.3546
 Raman1 Fr= 1--      24.241                  9.080                 14.969
 ROA1   Fr= 1--      58.290                -52.171                -19.240
 CID1   Fr= 1--       2.405                 -5.746                 -1.285
 Raman2 Fr= 1--       6.715                  3.061                  5.287
 ROA2   Fr= 1--      21.217                -12.039                  0.864
 CID2   Fr= 1--       3.160                 -3.933                  0.163
 Raman3 Fr= 1--      13.430                  6.123                 10.574
 ROA3   Fr= 1--      58.290                -52.171                -19.240
 CID3   Fr= 1--       4.340                 -8.521                 -1.820
 RC180  Fr= 1--       0.108                  0.349                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.02    -0.08   0.06  -0.03    -0.04  -0.00  -0.14
     2  16    -0.02  -0.02   0.03     0.01   0.00  -0.01    -0.01   0.00   0.03
     3   6    -0.12   0.01  -0.02     0.16  -0.03  -0.03     0.03   0.08   0.14
     4   7    -0.04  -0.01   0.03    -0.06   0.01   0.08     0.03  -0.09  -0.02
     5   6     0.02   0.03  -0.02     0.01  -0.05   0.02    -0.04   0.03  -0.05
     6   8     0.01   0.03   0.01    -0.01  -0.04  -0.02    -0.00  -0.01   0.01
     7   8     0.03  -0.03  -0.03    -0.06   0.07   0.04     0.02  -0.02  -0.01
     8   1    -0.15   0.00  -0.03     0.34   0.11  -0.04    -0.08   0.21   0.09
     9   1    -0.08  -0.21   0.07    -0.25  -0.02  -0.04     0.14   0.32  -0.20
    10   1     0.19   0.09  -0.25    -0.04   0.07  -0.15    -0.40   0.03   0.14
    11   1    -0.06   0.02   0.00     0.06  -0.04   0.24     0.04  -0.03  -0.00
    12   1     0.16  -0.41  -0.24     0.13  -0.14  -0.34    -0.09   0.22   0.06
    13   1     0.23  -0.06  -0.08     0.35  -0.48  -0.37    -0.10  -0.34  -0.12
    14   1     0.62   0.12  -0.25     0.01  -0.00  -0.01     0.53   0.13  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1102.9822              1154.7053              1210.1755
 Red. masses --      1.9903                 1.3200                 2.8385
 Frc consts  --      1.4266                 1.0370                 2.4493
 IR Inten    --     14.9703                 4.2058                22.1170
 RamAct Fr= 1--      2.4596                 2.4143                 8.2196
  Dep-P Fr= 1--      0.7158                 0.4008                 0.6284
  Dep-U Fr= 1--      0.8343                 0.5723                 0.7718
 Alpha2 Fr= 1--      0.0015                 0.0178                 0.0182
 Beta2  Fr= 1--      0.3420                 0.2303                 1.0573
 AlphaG Fr= 1--      0.0183                 0.0105                -0.0423
 Gamma2 Fr= 1--      0.5572                 0.0988                 0.4121
 Delta2 Fr= 1--      0.9176                -0.1242                 0.3555
 Raman1 Fr= 1--       9.838                  9.657                 32.878
 ROA1   Fr= 1--      82.852                  5.511                 50.934
 CID1   Fr= 1--       8.421                  0.571                  1.549
 Raman2 Fr= 1--       4.104                  2.763                 12.688
 ROA2   Fr= 1--       6.031                  3.365                  7.046
 CID2   Fr= 1--       1.470                  1.218                  0.555
 Raman3 Fr= 1--       8.208                  5.527                 25.376
 ROA3   Fr= 1--      82.852                  5.511                 50.934
 CID3   Fr= 1--      10.093                  0.997                  2.007
 RC180  Fr= 1--       0.669                  0.145                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.07   0.06     0.03  -0.03   0.07    -0.02   0.00  -0.05
     2  16     0.00   0.01   0.00     0.00  -0.00  -0.01     0.00  -0.01   0.00
     3   6    -0.02   0.21  -0.05    -0.02   0.12  -0.01    -0.08  -0.03   0.11
     4   7    -0.06  -0.11  -0.03     0.02  -0.07  -0.01     0.01   0.02  -0.03
     5   6     0.07  -0.05   0.01    -0.01  -0.00   0.01     0.25  -0.09  -0.16
     6   8    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00    -0.05  -0.08  -0.01
     7   8    -0.02   0.05   0.02     0.01  -0.00  -0.01    -0.03   0.13   0.07
     8   1     0.24   0.20  -0.01    -0.28   0.54  -0.17     0.01  -0.02   0.12
     9   1     0.52  -0.02   0.11    -0.41  -0.01   0.01    -0.30   0.12  -0.12
    10   1    -0.46   0.00   0.05     0.44  -0.09   0.09     0.32  -0.06   0.10
    11   1    -0.09   0.08   0.02     0.03  -0.02   0.02    -0.51   0.35   0.35
    12   1     0.08  -0.48  -0.13    -0.06   0.19   0.00    -0.05  -0.03   0.16
    13   1     0.10   0.10   0.06    -0.05  -0.33  -0.14    -0.10   0.16   0.10
    14   1    -0.14  -0.06   0.05    -0.16  -0.04   0.06     0.10   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1271.3920              1295.8678              1337.0727
 Red. masses --      1.2199                 1.2816                 1.5192
 Frc consts  --      1.1618                 1.2680                 1.6002
 IR Inten    --     18.6911                 5.1753                 5.2111
 RamAct Fr= 1--      1.8609                 5.2978                 4.4309
  Dep-P Fr= 1--      0.2991                 0.2696                 0.3093
  Dep-U Fr= 1--      0.4604                 0.4247                 0.4724
 Alpha2 Fr= 1--      0.0191                 0.0594                 0.0442
 Beta2  Fr= 1--      0.1428                 0.3750                 0.3489
 AlphaG Fr= 1--     -0.0169                 0.1415                 0.0331
 Gamma2 Fr= 1--      0.1615                -2.3761                -1.6473
 Delta2 Fr= 1--      0.0186                 0.3304                -0.5661
 Raman1 Fr= 1--       7.444                 21.191                 17.724
 ROA1   Fr= 1--      16.097               -217.533               -176.253
 CID1   Fr= 1--       2.162                -10.265                 -9.944
 Raman2 Fr= 1--       1.714                  4.500                  4.187
 ROA2   Fr= 1--       3.727                -59.669                -35.006
 CID2   Fr= 1--       2.175                -13.260                 -8.361
 Raman3 Fr= 1--       3.427                  9.000                  8.373
 ROA3   Fr= 1--      16.097               -217.533               -176.253
 CID3   Fr= 1--       4.697                -24.170                -21.049
 RC180  Fr= 1--      -0.079                 -0.151                 -0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01  -0.04    -0.01   0.03   0.05     0.09   0.01   0.01
     2  16    -0.01  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.06   0.02  -0.03    -0.03  -0.03  -0.09    -0.16  -0.09  -0.03
     4   7     0.02  -0.00   0.00     0.04   0.01   0.06     0.05   0.01   0.01
     5   6    -0.00  -0.01   0.04     0.05  -0.01  -0.03     0.02  -0.01   0.03
     6   8     0.01   0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.02  -0.00
     7   8     0.00  -0.00  -0.01    -0.00   0.02   0.01    -0.00  -0.00  -0.01
     8   1     0.52   0.09   0.05    -0.44  -0.14  -0.14     0.63   0.35  -0.01
     9   1     0.51  -0.01   0.04     0.48  -0.18   0.17    -0.26  -0.05  -0.02
    10   1     0.61  -0.11   0.11    -0.21   0.07  -0.11    -0.49   0.09  -0.04
    11   1     0.00  -0.01   0.01    -0.15   0.09   0.11    -0.02   0.01   0.04
    12   1    -0.03   0.12   0.04    -0.08   0.43   0.05    -0.05   0.24   0.08
    13   1    -0.04  -0.11  -0.04    -0.01  -0.37  -0.16    -0.08  -0.18  -0.07
    14   1     0.11   0.02  -0.04     0.00   0.01   0.00    -0.02   0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1375.7338              1414.5585              1482.8228
 Red. masses --      1.3694                 1.5513                 1.0899
 Frc consts  --      1.5270                 1.8289                 1.4119
 IR Inten    --     31.2046               403.9219                 6.6430
 RamAct Fr= 1--      1.5960                 5.5525                 5.8156
  Dep-P Fr= 1--      0.6458                 0.1131                 0.6241
  Dep-U Fr= 1--      0.7848                 0.2032                 0.7686
 Alpha2 Fr= 1--      0.0030                 0.0941                 0.0134
 Beta2  Fr= 1--      0.2087                 0.1881                 0.7449
 AlphaG Fr= 1--     -0.0362                 0.0077                -0.0237
 Gamma2 Fr= 1--      0.1152                -0.3398                 0.5921
 Delta2 Fr= 1--     -0.5196                -0.1626                -0.4118
 Raman1 Fr= 1--       6.384                 22.210                 23.262
 ROA1   Fr= 1--      -5.565                -37.822                 43.660
 CID1   Fr= 1--      -0.872                 -1.703                  1.877
 Raman2 Fr= 1--       2.505                  2.257                  8.939
 ROA2   Fr= 1--       6.922                 -6.854                 17.504
 CID2   Fr= 1--       2.763                 -3.037                  1.958
 Raman3 Fr= 1--       5.010                  4.514                 17.879
 ROA3   Fr= 1--      -5.565                -37.822                 43.660
 CID3   Fr= 1--      -1.111                 -8.379                  2.442
 RC180  Fr= 1--       0.570                 -0.594                  0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.04   0.01     0.01  -0.00  -0.01     0.00   0.05  -0.07
     2  16    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.14   0.04    -0.05   0.03   0.00     0.01   0.01  -0.00
     4   7    -0.01   0.01  -0.05     0.01   0.01   0.01    -0.00  -0.00   0.00
     5   6     0.03  -0.01  -0.03     0.12  -0.05  -0.07    -0.00   0.00   0.00
     6   8     0.00   0.02   0.01    -0.01   0.05   0.02     0.00  -0.00  -0.00
     7   8    -0.03   0.00   0.02    -0.11   0.01   0.05     0.00  -0.00  -0.00
     8   1    -0.20   0.79  -0.24    -0.03  -0.19   0.06    -0.01  -0.04   0.00
     9   1     0.31  -0.12   0.10    -0.03   0.00  -0.01    -0.10  -0.67   0.14
    10   1    -0.04   0.04  -0.05     0.02  -0.01   0.03    -0.09  -0.03   0.71
    11   1     0.12  -0.07  -0.09     0.69  -0.43  -0.49    -0.02   0.01   0.00
    12   1     0.03  -0.17  -0.00     0.01   0.03   0.00     0.01  -0.03  -0.01
    13   1    -0.02   0.23   0.10    -0.02  -0.12  -0.06    -0.01  -0.00   0.00
    14   1     0.02   0.01  -0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.5146              1841.6237              2684.8470
 Red. masses --      1.0873                 9.6630                 1.0387
 Frc consts  --      1.7749                19.3092                 4.4116
 IR Inten    --     38.7097               332.0430                 0.5865
 RamAct Fr= 1--      5.2946                15.1735               177.6911
  Dep-P Fr= 1--      0.7082                 0.3691                 0.2239
  Dep-U Fr= 1--      0.8292                 0.5392                 0.3659
 Alpha2 Fr= 1--      0.0038                 0.1251                 2.2633
 Beta2  Fr= 1--      0.7317                 1.3637                10.8350
 AlphaG Fr= 1--     -0.0190                -0.0011                -0.3470
 Gamma2 Fr= 1--     -0.1137                -0.2588                -1.7685
 Delta2 Fr= 1--     -0.3802                 0.6002                -1.3429
 Raman1 Fr= 1--      21.178                 60.694                710.764
 ROA1   Fr= 1--     -23.078                 -5.644               -212.747
 CID1   Fr= 1--      -1.090                 -0.093                 -0.299
 Raman2 Fr= 1--       8.780                 16.364                130.020
 ROA2   Fr= 1--       0.313                -11.013                -31.700
 CID2   Fr= 1--       0.036                 -0.673                 -0.244
 Raman3 Fr= 1--      17.561                 32.728                260.039
 ROA3   Fr= 1--     -23.078                 -5.644               -212.747
 CID3   Fr= 1--      -1.314                 -0.172                 -0.818
 RC180  Fr= 1--       0.658                  0.078                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00   0.00
     2  16     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.03
     3   6    -0.02   0.00   0.01    -0.02  -0.03  -0.00    -0.00  -0.00   0.00
     4   7    -0.02  -0.07   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     5   6     0.01  -0.01  -0.00     0.26   0.65   0.17     0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.16  -0.40  -0.10    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.05  -0.05  -0.00    -0.00  -0.00   0.00
     8   1     0.02   0.03   0.02     0.12   0.09   0.02     0.00  -0.00  -0.00
     9   1    -0.01  -0.01  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.00   0.02     0.05   0.01   0.02     0.00   0.00  -0.00
    11   1     0.03  -0.02  -0.00     0.40  -0.18  -0.25     0.00   0.00  -0.00
    12   1    -0.05   0.57  -0.44     0.01  -0.01  -0.03     0.00   0.00  -0.00
    13   1     0.53   0.42   0.13     0.00   0.02   0.01     0.00   0.00  -0.00
    14   1     0.00   0.00  -0.00     0.02   0.00  -0.01     0.42  -0.25   0.87
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3032.7371              3071.9768              3139.3509
 Red. masses --      1.0838                 1.0610                 1.1050
 Frc consts  --      5.8732                 5.8994                 6.4163
 IR Inten    --     10.9753                 9.2632                 0.9793
 RamAct Fr= 1--    103.9529                64.2819                44.0764
  Dep-P Fr= 1--      0.1782                 0.0469                 0.5519
  Dep-U Fr= 1--      0.3025                 0.0896                 0.7113
 Alpha2 Fr= 1--      1.4947                 1.2792                 0.1667
 Beta2  Fr= 1--      5.2417                 0.9597                 5.2251
 AlphaG Fr= 1--     -0.4345                 0.3090                -0.1460
 Gamma2 Fr= 1--      6.9701                -0.1667                 0.3704
 Delta2 Fr= 1--      4.5900                -1.3468                -0.1974
 Raman1 Fr= 1--     415.812                257.128                176.305
 ROA1   Fr= 1--     816.007                -59.102                 29.244
 CID1   Fr= 1--       1.962                 -0.230                  0.166
 Raman2 Fr= 1--      62.900                 11.517                 62.702
 ROA2   Fr= 1--     130.562                  6.773                 10.469
 CID2   Fr= 1--       2.076                  0.588                  0.167
 Raman3 Fr= 1--     125.801                 23.033                125.403
 ROA3   Fr= 1--     816.007                -59.102                 29.244
 CID3   Fr= 1--       6.486                 -2.566                  0.233
 RC180  Fr= 1--      -0.395                 -0.821                  0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.01   0.02  -0.06    -0.00  -0.08  -0.04
     2  16    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.02  -0.08     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.15   0.24   0.94    -0.02   0.04   0.15    -0.01   0.01   0.06
     9   1     0.02  -0.05  -0.16    -0.10   0.24   0.82    -0.06   0.11   0.44
    10   1    -0.00   0.02   0.00    -0.06  -0.46  -0.07     0.13   0.87   0.09
    11   1     0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3427.3898              3489.9952              3566.4034
 Red. masses --      1.0641                 1.0516                 1.0922
 Frc consts  --      7.3645                 7.5466                 8.1845
 IR Inten    --    251.3311                 5.3853                23.1422
 RamAct Fr= 1--     89.8398               113.2662                47.6462
  Dep-P Fr= 1--      0.0794                 0.0737                 0.6495
  Dep-U Fr= 1--      0.1472                 0.1373                 0.7875
 Alpha2 Fr= 1--      1.6536                 2.1137                 0.0860
 Beta2  Fr= 1--      2.2041                 2.5925                 6.2535
 AlphaG Fr= 1--      0.5453                 0.2932                -0.1547
 Gamma2 Fr= 1--     -2.7565                20.0342               -18.8376
 Delta2 Fr= 1--     -2.6474                 6.2740                -2.6380
 Raman1 Fr= 1--     359.359                453.065                190.585
 ROA1   Fr= 1--    -349.343               2124.054              -1892.825
 CID1   Fr= 1--      -0.972                  4.688                 -9.932
 Raman2 Fr= 1--      26.449                 31.110                 75.042
 ROA2   Fr= 1--     -44.977                430.629               -430.999
 CID2   Fr= 1--      -1.700                 13.842                 -5.743
 Raman3 Fr= 1--      52.899                 62.220                150.083
 ROA3   Fr= 1--    -349.343               2124.054              -1892.825
 CID3   Fr= 1--      -6.604                 34.138                -12.612
 RC180  Fr= 1--      -0.706                 -0.725                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2  16    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   7    -0.01  -0.01   0.00    -0.04  -0.04   0.01    -0.05   0.02  -0.06
     5   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.03  -0.05  -0.01     0.01   0.01   0.00     0.00   0.00   0.00
     8   1    -0.00  -0.01  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.01
     9   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.51   0.84   0.12    -0.08  -0.13  -0.02    -0.01  -0.01  -0.00
    12   1     0.13   0.03   0.04     0.75   0.21   0.26     0.50   0.15   0.14
    13   1    -0.02   0.04  -0.06    -0.15   0.28  -0.45     0.19  -0.43   0.69
    14   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   410.161721526.674211784.56527
           X            0.99986  -0.01325   0.01021
           Y            0.01362   0.99923  -0.03687
           Z           -0.00971   0.03700   0.99927
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21117     0.05673     0.04854
 Rotational constants (GHZ):           4.40007     1.18214     1.01131
 Zero-point vibrational energy     283779.8 (Joules/Mol)
                                   67.82500 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     91.72   152.64   186.58   253.42   360.59
          (Kelvin)            467.34   489.90   580.83   784.13   936.44
                              964.15  1137.18  1205.09  1222.67  1264.74
                             1292.99  1381.39  1443.50  1586.95  1661.36
                             1741.17  1829.25  1864.46  1923.75  1979.37
                             2035.23  2133.45  2394.87  2649.69  3862.90
                             4363.43  4419.89  4516.83  4931.25  5021.32
                             5131.26
 
 Zero-point correction=                           0.108086 (Hartree/Particle)
 Thermal correction to Energy=                    0.116257
 Thermal correction to Enthalpy=                  0.117201
 Thermal correction to Gibbs Free Energy=         0.074641
 Sum of electronic and zero-point Energies=           -722.017131
 Sum of electronic and thermal Energies=              -722.008960
 Sum of electronic and thermal Enthalpies=            -722.008015
 Sum of electronic and thermal Free Energies=         -722.050576
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.952             28.254             89.576
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.504
 Vibrational             71.175             22.293             20.785
 Vibration     1          0.597              1.972              4.338
 Vibration     2          0.605              1.944              3.339
 Vibration     3          0.612              1.924              2.951
 Vibration     4          0.628              1.872              2.369
 Vibration     5          0.663              1.762              1.726
 Vibration     6          0.709              1.626              1.286
 Vibration     7          0.720              1.595              1.210
 Vibration     8          0.769              1.462              0.949
 Vibration     9          0.900              1.151              0.555
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.465157D-34        -34.332400        -79.053272
 Total V=0       0.241922D+16         15.383676         35.422223
 Vib (Bot)       0.234909D-47        -47.629101       -109.670058
 Vib (Bot)    1  0.323794D+01          0.510269          1.174939
 Vib (Bot)    2  0.193206D+01          0.286022          0.658589
 Vib (Bot)    3  0.157216D+01          0.196496          0.452448
 Vib (Bot)    4  0.114181D+01          0.057593          0.132612
 Vib (Bot)    5  0.778512D+00         -0.108734         -0.250370
 Vib (Bot)    6  0.577052D+00         -0.238785         -0.549823
 Vib (Bot)    7  0.545161D+00         -0.263475         -0.606674
 Vib (Bot)    8  0.440307D+00         -0.356245         -0.820284
 Vib (Bot)    9  0.289330D+00         -0.538606         -1.240186
 Vib (V=0)       0.122173D+03          2.086975          4.805438
 Vib (V=0)    1  0.377632D+01          0.577069          1.328750
 Vib (V=0)    2  0.249571D+01          0.397195          0.914575
 Vib (V=0)    3  0.214975D+01          0.332388          0.765351
 Vib (V=0)    4  0.174648D+01          0.242165          0.557605
 Vib (V=0)    5  0.142525D+01          0.153890          0.354345
 Vib (V=0)    6  0.126354D+01          0.101588          0.233915
 Vib (V=0)    7  0.123973D+01          0.093327          0.214894
 Vib (V=0)    8  0.116624D+01          0.066786          0.153781
 Vib (V=0)    9  0.107768D+01          0.032489          0.074809
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.378410D+06          5.577963         12.843733
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3          3 3 3           2                             1     1      1 1 1111 1 1 1   1                                   
     5  4 4          1 0 0           6                             8     6      4 4 3322 2 1 1   09 88887   66   5    4 33  2 1 11   
     6  9 2          3 7 3           8                             4     6      8 1 7397 1 5 0   06 97539   75   4    0 42  5 7 306  
     6  0 7          9 2 3           5                             2     5      3 5 6761 0 5 3   30 99080   01   5    4 05  1 6 064  
 
     X  X X          X X X           X                             X     X      X X XXXX X X X   XX XXXXX   XX   X    X XX  X X XXX  
          X                                                        X     X        X X             X  XX                              
          X                                                        X              X               X  X                               
          X                                                        X              X               X                                  
          X                                                        X              X               X                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007511   -0.000000448    0.000001023
      2       16          -0.000003275    0.000001154    0.000001829
      3        6          -0.000003591    0.000005826   -0.000003199
      4        7          -0.000002386   -0.000007963    0.000005140
      5        6           0.000007336   -0.000007526   -0.000005413
      6        8          -0.000000364    0.000007272    0.000003100
      7        8          -0.000004865    0.000005814    0.000004709
      8        1           0.000001930   -0.000000444   -0.000001552
      9        1          -0.000000685    0.000000948   -0.000000085
     10        1          -0.000001963    0.000001121   -0.000001041
     11        1          -0.000001339   -0.000004955   -0.000001299
     12        1           0.000000908   -0.000000408   -0.000000227
     13        1           0.000000416   -0.000000855   -0.000001697
     14        1           0.000000366    0.000000463   -0.000001289
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007963 RMS     0.000003640
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.944163D+02  0.758414D+00 -0.107962D+01
      2   0.758414D+00  0.771976D+02  0.243626D+01
      3  -0.107962D+01  0.243626D+01  0.641211D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.311267D+01 -0.304668D+00 -0.178868D+01
      2   0.839287D+01 -0.661706D+01  0.284888D+02
      3   0.912118D+01 -0.167703D+02  0.477863D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.101966D+03 -0.191389D+02  0.160745D+02
      2  -0.600607D+02  0.154974D+02 -0.148439D+02
      3  -0.419056D+02  0.364144D+01 -0.123053D+01
      4  -0.204332D+02  0.152343D+02 -0.175077D+02
      5   0.191274D+02 -0.183025D+02  0.509601D+02
      6  -0.616126D+01 -0.720784D+01  0.363906D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128448D+02 -0.186959D+01  0.172957D+01 -0.425570D+01  0.252854D+01
      2  -0.186959D+01 -0.465872D+00 -0.719140D+00  0.252854D+01  0.376619D+01
      3   0.172957D+01 -0.719140D+00 -0.156577D+00  0.227741D+00  0.176619D-01
                 6             7             8             9            10 
      1   0.227741D+00  0.349301D+01  0.681650D+00  0.127815D+01  0.137875D+02
      2   0.176619D-01  0.681650D+00  0.171912D+01 -0.769039D+00  0.251199D+01
      3  -0.217370D+01  0.127815D+01 -0.769039D+00 -0.486862D+01 -0.446878D+01
                11            12            13            14            15 
      1   0.251199D+01 -0.446878D+01  0.440139D+01  0.272939D+01  0.665186D+00
      2   0.203189D+01  0.734693D+00  0.272939D+01 -0.100803D+00 -0.947598D+00
      3   0.734693D+00 -0.592936D+00  0.665186D+00 -0.947598D+00  0.222338D+01
                16            17            18            19            20 
      1  -0.732037D+01  0.954111D+00  0.952475D+00  0.418032D+01  0.160888D+01
      2   0.954111D+00 -0.201125D+01  0.187874D+01  0.160888D+01 -0.937094D+00
      3   0.952475D+00  0.187874D+01 -0.675390D+01 -0.109803D+01 -0.103282D+00
                21            22            23            24            25 
      1  -0.109803D+01  0.447325D+01 -0.396508D+00  0.645547D+00 -0.376437D+01
      2  -0.103282D+00 -0.396508D+00 -0.247796D+01  0.626857D+00 -0.361299D+00
      3  -0.912321D+00  0.645547D+00  0.626857D+00  0.204048D+01 -0.111905D+01
                26            27            28            29            30 
      1  -0.361299D+00 -0.111905D+01 -0.553091D+01  0.561084D-01 -0.289894D+00
      2  -0.310904D+00  0.279402D+01  0.561084D-01 -0.142805D+01  0.136006D+00
      3   0.279402D+01  0.565925D+01 -0.289894D+00  0.136006D+00  0.130365D+01
                31            32            33            34            35 
      1  -0.132368D+01 -0.515029D+00 -0.804753D+00 -0.638917D+00 -0.581114D+00
      2  -0.515029D+00  0.261199D+01  0.141423D+01 -0.581114D+00  0.287416D+01
      3  -0.804753D+00  0.141423D+01 -0.194752D+01  0.124262D+01 -0.218998D+01
                36            37            38            39            40 
      1   0.124262D+01 -0.338798D+01 -0.705326D+00  0.781991D+00  0.243643D+00
      2  -0.218998D+01 -0.705326D+00  0.122520D+01  0.140596D+01  0.358370D+01
      3   0.201858D+01  0.781991D+00  0.140596D+01 -0.661837D-01  0.153060D+01
                41            42            43            44            45 
      1   0.358370D+01  0.153060D+01  0.220360D+01  0.218131D+01  0.415564D+00
      2   0.524990D+01  0.802897D+00  0.218131D+01  0.150144D+01 -0.357489D+00
      3   0.802897D+00  0.661924D-01  0.415564D+00 -0.357489D+00 -0.680654D+00
                46            47            48            49            50 
      1  -0.402814D+01 -0.395194D+01 -0.147891D+01 -0.553311D+01 -0.427947D+01
      2  -0.395194D+01 -0.287878D+01 -0.992960D+00 -0.427947D+01 -0.112861D+02
      3  -0.147891D+01 -0.992960D+00 -0.819428D+00 -0.871536D+00 -0.179757D+01
                51            52            53            54            55 
      1  -0.871536D+00 -0.185437D+01 -0.947334D+00 -0.200603D+01 -0.675133D+01
      2  -0.179757D+01 -0.947334D+00 -0.143055D+01 -0.296024D+01  0.129794D+01
      3  -0.236562D+01 -0.200603D+01 -0.296024D+01 -0.219339D+01  0.232991D+01
                56            57            58            59            60 
      1   0.129794D+01  0.232991D+01 -0.184834D+01 -0.412462D+01  0.396497D+00
      2  -0.262778D+01 -0.491550D+00 -0.412462D+01 -0.101132D+01  0.521018D+00
      3  -0.491550D+00 -0.128773D+01  0.396497D+00  0.521018D+00  0.696548D-01
                61            62            63            64            65 
      1   0.158922D+01 -0.107841D+01 -0.186940D+01  0.584701D+00 -0.648686D+00
      2  -0.107841D+01 -0.156485D+00  0.117871D+01 -0.648686D+00  0.352163D+00
      3  -0.186940D+01  0.117871D+01  0.257055D+01 -0.793397D+00  0.408606D-01
                66            67            68            69            70 
      1  -0.793397D+00 -0.120939D+01  0.333086D+00 -0.257280D-01 -0.136122D+01
      2   0.408606D-01  0.333086D+00 -0.931848D+00 -0.143240D+01  0.133241D+00
      3   0.858687D+00 -0.257280D-01 -0.143240D+01 -0.165797D+01  0.760701D-01
                71            72            73            74            75 
      1   0.133241D+00  0.760701D-01  0.577773D+00  0.234233D+00  0.675812D+00
      2  -0.204044D+01 -0.176403D+01  0.234233D+00  0.632221D-01  0.139661D+00
      3  -0.176403D+01 -0.772937D+01  0.675812D+00  0.139661D+00 -0.781080D+00
                76            77            78            79            80 
      1   0.151519D+01 -0.564812D+00 -0.854369D-01  0.262716D+01 -0.116548D+00
      2  -0.564812D+00  0.325624D-01  0.812126D+00 -0.116548D+00  0.755376D+00
      3  -0.854369D-01  0.812126D+00  0.151416D+01 -0.142431D+01 -0.283702D+00
                81            82            83            84            85 
      1  -0.142431D+01 -0.534644D+00 -0.640533D+00 -0.193174D+00 -0.272223D+01
      2  -0.283702D+00 -0.640533D+00 -0.380301D+00  0.314128D+00 -0.179895D+01
      3   0.717205D+01 -0.193174D+00  0.314128D+00 -0.136985D+00  0.219655D+00
                86            87            88            89            90 
      1  -0.179895D+01  0.219655D+00 -0.149008D+01 -0.339058D-01 -0.428493D+00
      2  -0.686586D+01  0.714970D+00 -0.339058D-01 -0.496368D+00 -0.808109D+00
      3   0.714970D+00 -0.671745D+00 -0.428493D+00 -0.808109D+00  0.382136D+00
                91            92            93            94            95 
      1   0.239810D+01  0.190633D+01 -0.820401D+00  0.468593D+01  0.414348D+00
      2   0.190633D+01  0.106027D+01 -0.135815D+00  0.414348D+00  0.452979D+01
      3  -0.820401D+00 -0.135815D+00  0.104482D+00 -0.123965D+01  0.924060D+00
                96            97            98            99           100 
      1  -0.123965D+01  0.133470D+00 -0.257141D+00 -0.541007D+00  0.682710D+01
      2   0.924060D+00 -0.257141D+00  0.990080D+00  0.894495D+00  0.517806D+00
      3   0.147768D+01 -0.541007D+00  0.894495D+00  0.152055D+01  0.102339D+01
               101           102           103           104           105 
      1   0.517806D+00  0.102339D+01  0.164082D+01  0.181242D+01 -0.487616D-01
      2   0.400794D+01 -0.172592D+00  0.181242D+01  0.251815D+01  0.104034D+00
      3  -0.172592D+00  0.791029D+00 -0.487616D-01  0.104034D+00  0.750549D+00
               106           107           108           109           110 
      1   0.230322D+01 -0.321600D-01  0.142163D+00 -0.751520D+00  0.818849D+00
      2  -0.321600D-01  0.100427D+01  0.757624D+00  0.818849D+00 -0.977907D+00
      3   0.142163D+00  0.757624D+00  0.441238D+00 -0.477798D+00  0.437518D+00
               111           112           113           114           115 
      1  -0.477798D+00  0.839179D+00 -0.606716D+00  0.326708D+00 -0.110044D+01
      2   0.437518D+00 -0.606716D+00  0.424241D+01 -0.240310D+01  0.862939D+00
      3  -0.147607D+01  0.326708D+00 -0.240310D+01  0.266783D+01 -0.111859D+01
               116           117           118           119           120 
      1   0.862939D+00 -0.111859D+01  0.547384D+01 -0.113606D+01  0.307971D+01
      2  -0.392050D+01  0.352252D+01 -0.113606D+01  0.955101D+00 -0.593491D+00
      3   0.352252D+01 -0.390853D+01  0.307971D+01 -0.593491D+00  0.317146D+01
               121           122           123           124           125 
      1  -0.906952D+00  0.884620D+00 -0.936074D+00  0.518008D+01 -0.140534D+01
      2   0.884620D+00 -0.277128D+00  0.642813D+00 -0.140534D+01  0.152205D+01
      3  -0.936074D+00  0.642813D+00 -0.199338D+01  0.439982D+01 -0.189352D+01
               126 
      1   0.439982D+01
      2  -0.189352D+01
      3   0.637012D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.956600D+00 -0.648765D+00 -0.628202D+00  0.297546D+01  0.418231D+01
      2   0.523463D+01 -0.151204D+01 -0.991203D+00  0.359231D+00 -0.210259D+01
      3   0.563807D+01  0.643745D+01  0.140805D+00  0.107864D+02 -0.449356D+01
                 6             7             8             9            10 
      1  -0.488167D+01  0.307729D+01  0.199366D+01 -0.441576D+01 -0.675874D-01
      2  -0.194309D+01 -0.101414D+02 -0.173074D+01 -0.313662D+01 -0.156268D+02
      3  -0.118264D+01 -0.172150D+01 -0.113176D+01 -0.789253D+00 -0.130584D+02
                11            12            13            14            15 
      1   0.104102D+01  0.976347D+00 -0.185132D+00  0.154726D+01 -0.832546D+01
      2   0.137124D+01  0.260072D+01  0.326676D+00 -0.178376D+01  0.617486D+01
      3  -0.861542D+01  0.827400D-01  0.131169D+02 -0.273430D+01  0.246059D+01
                16            17            18            19            20 
      1  -0.667567D-01  0.769516D+01 -0.275633D+01 -0.163364D+01  0.277166D+00
      2  -0.151974D+02  0.611844D+01 -0.203589D+02  0.648584D+01  0.600223D+00
      3   0.235269D+00  0.628731D+01 -0.569926D+01  0.350551D+01 -0.695637D+01
                21            22            23            24            25 
      1   0.972361D-01 -0.366968D+01  0.143151D+01  0.168857D+01 -0.492381D+00
      2   0.471581D+01  0.180657D+01 -0.952848D-01  0.151747D+01 -0.640157D+01
      3   0.702204D+00 -0.821198D+00 -0.219534D+01  0.313597D+01  0.640119D+00
                26            27            28            29            30 
      1   0.365649D+01 -0.163817D+00  0.198084D+01  0.548934D+00 -0.172442D+01
      2  -0.170900D+01 -0.334116D+01  0.243839D+00 -0.206947D-01  0.342196D+01
      3   0.211504D+01  0.782026D+00 -0.189631D+02 -0.532081D+01 -0.291014D+01
                31            32            33            34            35 
      1   0.193367D+01 -0.684395D+01 -0.158658D+01 -0.289007D+01  0.959988D+01
      2   0.673342D+00 -0.812635D+00 -0.439684D+00 -0.325238D+01  0.293285D+00
      3   0.922132D+00  0.182374D+01 -0.115906D+01 -0.467672D+01  0.145073D+01
                36            37            38            39            40 
      1  -0.606335D+01 -0.667680D+00  0.162171D+01  0.292358D+01  0.217504D+01
      2  -0.153553D+01 -0.100814D+02 -0.914965D+00 -0.493982D+01  0.411873D+01
      3   0.193070D+01 -0.102664D+02  0.341699D+01  0.120252D+01  0.661255D+01
                41            42            43            44            45 
      1  -0.636971D+01  0.570120D+01 -0.318751D+00  0.612136D+01  0.655900D+01
      2  -0.107669D+01 -0.426523D+01 -0.175676D+02 -0.981728D+00  0.606471D+01
      3   0.143129D+02 -0.889781D+00 -0.216826D+01 -0.277552D+01  0.439593D+00
                46            47            48            49            50 
      1   0.175989D+00  0.814825D+00 -0.422203D+01  0.406056D+00  0.325679D+01
      2   0.204960D+01  0.124189D+01  0.644444D+01 -0.529932D+01  0.235634D+01
      3  -0.173343D-01 -0.839746D+01 -0.188953D+01  0.529262D+01 -0.216299D+02
                51            52            53            54            55 
      1  -0.979537D+01 -0.114419D+00  0.203738D+01 -0.261404D+01 -0.212479D+01
      2   0.681996D+01  0.338339D+01  0.555661D+01  0.290703D+01  0.229883D+01
      3  -0.254792D+01  0.164401D+00 -0.132828D+01 -0.576611D+01 -0.545459D+01
                56            57            58            59            60 
      1  -0.492384D+01  0.225946D+01 -0.505703D+01 -0.274432D+01 -0.252692D+01
      2   0.337973D+01  0.815254D+01  0.118710D+01  0.115360D+01 -0.388914D-01
      3  -0.165135D+02 -0.483855D+00 -0.144150D+02 -0.789601D+01  0.276797D+01
                61            62            63            64            65 
      1   0.101866D+01  0.293635D+01 -0.173737D+01  0.114902D+00 -0.654089D+00
      2   0.559995D+01 -0.179439D+01 -0.780749D+01  0.131320D+01 -0.354858D+00
      3   0.111171D+01  0.185623D+01  0.241169D+01 -0.294540D+00  0.582923D+00
                66            67            68            69            70 
      1   0.471190D-01  0.545997D+00  0.869069D+00 -0.513985D+00  0.360802D+00
      2   0.885648D-02 -0.109749D+01  0.102142D+01  0.279790D+00 -0.321435D+01
      3  -0.621851D+00  0.270922D+01 -0.295371D+00 -0.857029D+00  0.148990D+01
                71            72            73            74            75 
      1   0.331036D+01 -0.943715D+00  0.148795D+01 -0.108671D+01 -0.686535D+00
      2   0.687343D+00  0.234819D+01  0.184505D+01  0.460440D+00  0.102326D+01
      3  -0.685329D+00 -0.755535D+00  0.617897D+00 -0.285448D+01 -0.912195D+00
                76            77            78            79            80 
      1  -0.100747D+01  0.558992D+00  0.907212D+00 -0.149052D+01  0.236917D+01
      2  -0.102660D+01  0.993154D+00  0.119218D+01 -0.442874D+01  0.167138D+00
      3  -0.461649D+00 -0.158855D+00 -0.496441D+00 -0.282098D+01  0.315823D+00
                81            82            83            84            85 
      1   0.531953D+01 -0.124686D+01 -0.587993D+00 -0.791665D+00 -0.163001D+01
      2   0.455991D+01  0.542888D+00  0.757872D+00  0.148589D+01  0.168912D+01
      3   0.227731D+01  0.303927D+01 -0.204877D+01 -0.296602D-01  0.513316D+01
                86            87            88            89            90 
      1  -0.357408D+01 -0.202716D+01 -0.104766D+01 -0.284369D+00  0.254336D+00
      2   0.181421D+01 -0.228849D+00 -0.431682D+00 -0.211092D+00 -0.151091D+00
      3   0.500836D+01  0.206683D+00  0.146557D+01  0.757301D+00  0.127341D+01
                91            92            93            94            95 
      1   0.352290D+01  0.412009D+01  0.193995D+00  0.507485D+01  0.416935D+01
      2  -0.287271D+01 -0.244874D+01 -0.187423D+01 -0.851105D+00 -0.387114D+01
      3   0.958216D+01  0.995019D+01 -0.115867D+01  0.133764D+02  0.153706D+02
                96            97            98            99           100 
      1  -0.196297D+01  0.506846D+00  0.956782D+00 -0.148486D+01 -0.296000D+01
      2  -0.307512D+01 -0.184159D+01 -0.245667D+01 -0.893191D+00 -0.880699D+00
      3  -0.237802D+00 -0.930273D+00  0.695422D+00  0.791259D+00  0.247236D+02
               101           102           103           104           105 
      1  -0.613110D+00 -0.292027D+01 -0.365880D+00 -0.105174D+01 -0.128976D+01
      2   0.533978D+00  0.585032D+00  0.270706D-02  0.463987D+00  0.135460D+01
      3  -0.342839D+01  0.327931D+01  0.357507D+01  0.131893D+01 -0.549383D+00
               106           107           108           109           110 
      1  -0.360091D+00 -0.558259D+00 -0.100190D+01  0.305365D+00 -0.120374D+01
      2  -0.211173D+01  0.157881D+01  0.406042D+00  0.645176D-01 -0.428059D+00
      3   0.734294D+01 -0.998455D+00 -0.717413D+00 -0.130284D+01  0.326686D+00
               111           112           113           114           115 
      1   0.343108D+01 -0.383066D+00  0.396043D+01 -0.607313D+01  0.168483D+01
      2   0.707099D+00  0.486517D+00  0.489508D+00 -0.807524D+00 -0.163158D+01
      3   0.460558D+00  0.308695D+01  0.755690D+00 -0.568982D+00 -0.273045D+01
               116           117           118           119           120 
      1  -0.494337D+01  0.816474D+01  0.156017D+00  0.129450D+01  0.104431D+01
      2  -0.883673D+00  0.144593D+01  0.884338D+01 -0.144588D+01  0.107231D+02
      3   0.159725D+00 -0.610814D+00  0.187161D+01 -0.517793D+01  0.922341D+00
               121           122           123           124           125 
      1  -0.272973D+00 -0.612064D+00 -0.137742D+01  0.511312D+00  0.370831D+01
      2  -0.237547D+01  0.144987D+01 -0.654047D+01  0.100271D+02 -0.501457D+01
      3  -0.170400D+01  0.119324D+01 -0.619685D+00  0.259826D+01 -0.671824D+01
               126 
      1   0.209895D+01
      2   0.200296D+02
      3   0.443240D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.540251D+02 -0.302804D+01  0.289960D+01 -0.775662D+01  0.162544D+02
      2   0.274860D+02  0.142614D+01 -0.205566D+01  0.180083D+01 -0.157720D+02
      3   0.265391D+02  0.160191D+01 -0.843942D+00  0.595579D+01 -0.482367D+00
      4   0.147837D+01 -0.126130D+02 -0.299439D+01  0.135957D+02  0.198571D+01
      5   0.698577D+01 -0.272217D+01 -0.873063D+01  0.253958D+01  0.858157D-01
      6  -0.222845D+01  0.975665D+00 -0.435165D+00  0.146362D+01  0.504974D+00
                 6             7             8             9            10 
      1   0.581265D+01  0.493099D+01  0.423990D+01  0.973774D+01  0.839796D+02
      2  -0.394198D+00 -0.578985D+01 -0.950994D+00  0.241524D+01 -0.390022D+02
      3  -0.541845D+01  0.858852D+00 -0.328890D+01 -0.121530D+02 -0.449775D+02
      4  -0.885086D+00  0.938391D+00  0.343905D+01 -0.190211D+01  0.485703D+01
      5  -0.380266D+01  0.430680D+01 -0.230280D-01 -0.372341D+01 -0.283743D+02
      6   0.479047D+01 -0.124800D+01  0.247714D+01  0.114441D+01  0.407978D+01
                11            12            13            14            15 
      1   0.109302D+02 -0.243117D+02  0.207569D+02 -0.277992D+01 -0.121853D+01
      2  -0.853015D+01  0.126981D+02 -0.169788D+02  0.190417D+02  0.132756D+01
      3  -0.240004D+01  0.116136D+02 -0.377815D+01 -0.162618D+02 -0.109035D+00
      4   0.256605D+02  0.544439D+01  0.295082D+02 -0.621927D+01 -0.469820D+01
      5   0.523814D+01  0.561434D+01  0.453961D+01 -0.403447D+01  0.124275D+02
      6  -0.366363D+00  0.171511D+01 -0.686828D+00  0.492443D+01  0.116054D+02
                16            17            18            19            20 
      1  -0.289280D+02 -0.346023D+00 -0.809176D+01  0.289589D+01 -0.199612D+01
      2   0.191506D+02 -0.198846D+01 -0.431978D+01  0.132152D+00 -0.790352D+00
      3   0.977736D+01  0.233449D+01  0.124115D+02 -0.302805D+01  0.278647D+01
      4   0.859245D+01 -0.906607D+01  0.102032D+02 -0.244496D+01  0.709089D+01
      5   0.124504D+02  0.107758D+02 -0.397860D+02  0.358706D+01  0.181913D+01
      6   0.130529D+01  0.146899D+02  0.930947D+01 -0.615970D+00 -0.273325D+01
                21            22            23            24            25 
      1   0.143139D+01  0.345036D+01  0.605484D+01  0.439802D+01 -0.610514D+01
      2  -0.204609D+01 -0.283967D+01 -0.618209D+01  0.269627D+01  0.142768D+01
      3   0.614709D+00 -0.610691D+00  0.127249D+00 -0.709429D+01  0.467746D+01
      4   0.267091D+01 -0.756399D+01  0.791155D+01  0.217888D+01  0.491600D+01
      5   0.459460D+01  0.188644D+01  0.185671D+01  0.219012D+01 -0.856247D+00
      6  -0.195958D+00  0.311082D+01 -0.527956D+00 -0.935590D+01  0.828203D+00
                26            27            28            29            30 
      1   0.574680D+01  0.465213D+01  0.518759D+01  0.422874D+01 -0.248909D+01
      2   0.139294D+01  0.112119D+02 -0.577536D+01 -0.633738D+01  0.197905D+01
      3  -0.713974D+01 -0.158641D+02  0.587772D+00  0.210864D+01  0.510041D+00
      4  -0.456103D+01 -0.632368D+00 -0.712144D+01 -0.350393D+01 -0.551512D+00
      5  -0.163833D+01 -0.898029D+00 -0.189458D+01  0.453792D+00  0.539926D+01
      6   0.244564D+01 -0.348878D+01 -0.179345D+01  0.651739D-02  0.485230D+01
                31            32            33            34            35 
      1  -0.120824D+01 -0.124785D+02 -0.729420D+01  0.469495D+00 -0.841565D+01
      2  -0.174445D+01  0.214996D+02  0.634955D+01  0.668282D+00  0.834241D+01
      3   0.295269D+01 -0.902113D+01  0.944654D+00 -0.113778D+01  0.732462D-01
      4   0.223099D+01 -0.686070D+01 -0.377378D+01 -0.133343D+01 -0.290845D+01
      5   0.121517D+01 -0.228843D+01  0.370482D+00  0.264536D+01  0.131938D+01
      6  -0.563531D+01  0.111213D+02 -0.385251D+00  0.557576D+01 -0.868482D+01
                36            37            38            39            40 
      1   0.517927D+01 -0.330979D+01  0.109731D+02  0.145975D+00 -0.824836D+01
      2  -0.876044D+01 -0.805403D+00 -0.123527D+02 -0.445722D+01  0.188561D+01
      3   0.358118D+01  0.411519D+01  0.137963D+01  0.431125D+01  0.636275D+01
      4   0.362554D+01 -0.132238D+01 -0.190451D+02 -0.725139D+01 -0.278624D+02
      5  -0.319490D+01 -0.278382D+01 -0.877640D+01 -0.103499D+02 -0.155367D+02
      6   0.127765D+02 -0.107397D+01 -0.264332D+00 -0.303511D+01 -0.131545D+01
                41            42            43            44            45 
      1  -0.163691D+01 -0.173339D+01  0.413093D+01 -0.757251D+01 -0.461535D+01
      2  -0.119465D+02  0.672108D+01 -0.418797D+01  0.273136D+00 -0.193190D+01
      3   0.135834D+02 -0.498768D+01  0.570431D-01  0.729938D+01  0.654724D+01
      4  -0.280862D+02 -0.440680D+01 -0.164861D+02  0.221884D+01 -0.149239D+01
      5  -0.519320D+01 -0.840068D+01 -0.295503D+01 -0.896058D+00  0.559032D+01
      6  -0.509006D+01 -0.922064D+01 -0.162949D+01  0.346006D+01 -0.545784D+01
                46            47            48            49            50 
      1   0.227835D+02  0.917842D+01  0.320679D+01  0.128319D+02 -0.117263D+02
      2  -0.713128D+01  0.255699D+01 -0.243350D+01  0.139222D+01  0.345787D+02
      3  -0.156522D+02 -0.117354D+02 -0.773291D+00 -0.142241D+02 -0.228523D+02
      4   0.264268D+02  0.276936D+02  0.658526D+01  0.345269D+02  0.548806D+02
      5   0.959416D+01  0.714223D+01  0.125931D+02  0.762838D+01  0.102221D+02
      6   0.277198D+01  0.215646D+01  0.580079D+01  0.434975D+01  0.623663D+01
                51            52            53            54            55 
      1  -0.248643D+01  0.318009D+01 -0.103902D+01 -0.129655D+01  0.436404D+02
      2   0.522125D+00 -0.153256D+01  0.124016D+01 -0.643412D+00 -0.265216D+02
      3   0.196431D+01 -0.164754D+01 -0.201146D+00  0.193996D+01 -0.171188D+02
      4   0.864880D+01  0.708879D+01  0.602774D+01  0.144110D+02 -0.186583D+02
      5   0.152178D+02  0.149033D+02  0.144382D+02  0.107759D+02 -0.140470D+02
      6   0.147974D+02  0.689954D+01  0.121974D+02  0.660301D+01  0.241757D+01
                56            57            58            59            60 
      1  -0.631201D+01 -0.718428D+01  0.724242D+01  0.129039D+02 -0.271566D+01
      2   0.137228D+01  0.918007D+01 -0.782267D+01 -0.474157D+01  0.214032D+00
      3   0.493973D+01 -0.199579D+01  0.580252D+00 -0.816229D+01  0.250163D+01
      4   0.206892D+02  0.560340D+01  0.206731D+02 -0.530076D+01 -0.243268D+01
      5   0.495377D+01  0.175337D+02  0.121037D+01 -0.414876D+01 -0.120649D+01
      6  -0.124610D+01 -0.369609D+01 -0.507424D+00  0.177319D+01  0.704238D+01
                61            62            63            64            65 
      1  -0.343127D+01  0.314876D+01  0.370706D+01  0.368672D-01  0.114399D+00
      2   0.459715D+01 -0.246840D+01 -0.113331D+02 -0.346630D+01  0.807069D+00
      3  -0.116588D+01 -0.680357D+00  0.762600D+01  0.342944D+01 -0.921468D+00
      4   0.760213D+01 -0.533642D+01 -0.689492D+01 -0.489753D+00  0.629272D+00
      5   0.169266D+02 -0.637355D+01 -0.174530D+02 -0.771263D+00  0.108977D+01
      6  -0.203687D+01  0.503616D+01  0.327518D+01  0.118725D+01 -0.249055D+00
                66            67            68            69            70 
      1   0.108877D+01  0.211170D+00 -0.472286D+01 -0.385645D+01  0.143325D+01
      2   0.777457D+00  0.859636D+00  0.386361D-01 -0.188470D+01  0.846238D+00
      3  -0.186623D+01 -0.107081D+01  0.468422D+01  0.574115D+01 -0.227949D+01
      4   0.530649D+00  0.277050D+01 -0.926357D+00 -0.117899D+00  0.888916D+00
      5   0.445614D+01  0.114953D+01 -0.187779D+00 -0.500259D+00  0.413265D+01
      6  -0.140036D+00 -0.854631D+00  0.402568D+01  0.807300D+01 -0.845769D+00
                71            72            73            74            75 
      1  -0.270243D+01 -0.192203D+02  0.487793D+01 -0.364921D+00  0.251653D+01
      2  -0.454852D+01 -0.146406D+02 -0.513138D+01  0.350172D+00  0.110912D+01
      3   0.725095D+01  0.338609D+02  0.253445D+00  0.147488D-01 -0.362565D+01
      4   0.112279D+01  0.275383D+00 -0.116641D+01  0.283892D+01 -0.408363D-01
      5   0.487034D+00  0.820854D+00 -0.238508D+01  0.822992D+00  0.634117D+01
      6   0.495193D+01  0.603446D+01  0.639329D+00 -0.498698D+00  0.398878D+00
                76            77            78            79            80 
      1   0.431286D+01 -0.413112D+01 -0.253384D+01  0.953825D+01  0.109541D+01
      2  -0.119539D+01  0.136112D+01 -0.172985D+01 -0.882132D+00 -0.129469D+01
      3  -0.311747D+01  0.276999D+01  0.426369D+01 -0.865612D+01  0.199274D+00
      4  -0.402573D+00  0.752510D+00  0.100191D+01 -0.210954D+01  0.992099D-01
      5   0.451816D+00  0.457654D+00  0.148963D+01  0.207355D+01 -0.943539D+00
      6  -0.704925D+00  0.211180D+00  0.370773D+01  0.129199D+01  0.334922D+01
                81            82            83            84            85 
      1  -0.229892D+02  0.109934D+01 -0.220773D+01  0.371688D+00 -0.108154D+02
      2  -0.846964D+01  0.215041D+01  0.313949D+01 -0.119725D+00  0.100392D+02
      3   0.314588D+02 -0.324975D+01 -0.931758D+00 -0.251963D+00  0.776160D+00
      4   0.669338D+00  0.200700D+01  0.721327D+01  0.557559D+00  0.179259D+01
      5   0.458822D+01 -0.903881D-01 -0.113091D+00  0.234632D+01 -0.785880D+00
      6  -0.480701D+01  0.298026D+00 -0.967105D+00  0.345146D+00 -0.190045D+01
                86            87            88            89            90 
      1  -0.225696D+02  0.319077D+01 -0.255669D+01 -0.385918D+00 -0.446613D+01
      2   0.298946D+02 -0.229524D+01  0.235671D+01  0.103753D+01  0.245383D+01
      3  -0.732499D+01 -0.895527D+00  0.199982D+00 -0.651614D+00  0.201230D+01
      4  -0.386853D+01  0.601813D+00 -0.664410D-01 -0.137021D+01 -0.279335D+00
      5  -0.241853D+00 -0.781464D-01  0.699216D+00 -0.639248D+00 -0.312702D+00
      6  -0.580914D+01  0.377473D+01  0.150584D+01  0.446755D+01 -0.105256D+01
                91            92            93            94            95 
      1  -0.136286D+02 -0.564269D+01  0.213841D+01 -0.149333D+02 -0.907732D+01
      2   0.109431D+02  0.206687D+01 -0.323752D+01  0.837934D+01  0.101846D+02
      3   0.268545D+01  0.357582D+01  0.109911D+01  0.655397D+01 -0.110727D+01
      4  -0.251190D+01 -0.223104D+01 -0.949769D+00  0.490503D+01 -0.160158D+02
      5   0.377457D+01  0.994354D-01 -0.393644D+01  0.529375D+01 -0.327577D+01
      6  -0.158835D+01 -0.779691D+00 -0.127219D+01 -0.334159D+01  0.444716D+01
                96            97            98            99           100 
      1   0.104978D+01  0.142346D+01 -0.274685D+01 -0.294137D+01  0.527067D+01
      2  -0.789131D+00 -0.968410D+00  0.205736D+01  0.743629D+00  0.138785D+01
      3  -0.260651D+00 -0.455046D+00  0.689485D+00  0.219774D+01 -0.665852D+01
      4  -0.521383D+01  0.522956D+00 -0.267396D+01 -0.295972D+01  0.111836D+02
      5  -0.624743D+01  0.235627D+01 -0.286561D+01 -0.278139D+01 -0.527443D+00
      6   0.363364D+01 -0.103383D+01  0.403611D+01  0.433429D+01  0.252661D+01
               101           102           103           104           105 
      1  -0.112113D+02  0.200171D+01 -0.382662D+01 -0.324580D+01 -0.142866D-01
      2   0.148954D+02  0.356810D-01  0.691455D+01  0.773283D+01  0.520410D+00
      3  -0.368410D+01 -0.203739D+01 -0.308793D+01 -0.448703D+01 -0.506124D+00
      4   0.948360D+01  0.170498D+01  0.870787D+01  0.873592D+01  0.101635D+01
      5   0.287714D-01 -0.286477D+00 -0.849504D+00  0.459588D+00  0.174563D+01
      6  -0.114900D+01  0.447482D+01 -0.201253D+00 -0.646260D-01  0.272358D+01
               106           107           108           109           110 
      1  -0.231240D-01 -0.245501D+01 -0.179552D+01 -0.124508D+01  0.220122D+01
      2   0.439525D+00  0.265462D+01  0.103538D+01  0.166605D+01 -0.219549D+01
      3  -0.416401D+00 -0.199605D+00  0.760143D+00 -0.420973D+00 -0.572772D-02
      4   0.343702D+01  0.164143D+01  0.192441D+01 -0.235503D+01  0.512761D+01
      5   0.162058D+01  0.164441D+01  0.288248D+00  0.144405D+01 -0.261810D+01
      6   0.373353D+00  0.395423D+01  0.151603D+01 -0.302064D+01  0.391667D+01
               111           112           113           114           115 
      1  -0.158837D+01  0.162635D+01 -0.148659D+02  0.909211D+01 -0.302744D+01
      2   0.827963D+00 -0.200028D+01  0.171910D+02 -0.951244D+01  0.152290D+01
      3   0.760404D+00  0.373938D+00 -0.232515D+01  0.420331D+00  0.150453D+01
      4  -0.351239D+01  0.444147D+01 -0.280019D+01  0.189355D+01 -0.341041D+01
      5   0.376540D+01 -0.111064D+01  0.143856D+01 -0.114032D+01  0.341118D+01
      6  -0.619271D+01  0.217992D+01 -0.165513D+02  0.156497D+02 -0.513116D+01
               116           117           118           119           120 
      1   0.141254D+02 -0.143711D+02  0.283252D+02 -0.585208D+01  0.183331D+02
      2  -0.117519D+02  0.782274D+01 -0.188764D+02  0.308613D+01 -0.115380D+02
      3  -0.237352D+01  0.654837D+01 -0.944882D+01  0.276595D+01 -0.679511D+01
      4   0.337941D+01 -0.428578D+01 -0.912427D+01  0.816386D+01 -0.536061D+01
      5  -0.249353D+01  0.334933D+01  0.244087D+02 -0.498201D+01  0.247805D+02
      6   0.201758D+02 -0.205697D+02 -0.359971D+01  0.119827D+01 -0.261979D+01
               121           122           123           124           125 
      1  -0.414910D+01  0.556097D+00 -0.331471D+01  0.196849D+02 -0.431701D+01
      2   0.232107D+01  0.494851D-01  0.150289D+01 -0.169284D+02  0.438059D+01
      3   0.182802D+01 -0.605582D+00  0.181182D+01 -0.275647D+01 -0.635854D-01
      4   0.709297D+01 -0.343006D+01  0.510737D+01 -0.105807D+02  0.798768D+01
      5  -0.763188D+01  0.484985D+01 -0.120652D+02  0.327018D+02 -0.120335D+02
      6   0.296412D+01 -0.276521D+01  0.728476D+01 -0.509646D+01  0.464124D+01
               126 
      1   0.137637D+02
      2  -0.183313D+02
      3   0.456759D+01
      4  -0.126622D+02
      5   0.416570D+02
      6  -0.718122D+01
 Leave Link  716 at Thu Aug 12 19:43:10 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.944163D+02  0.758414D+00 -0.107962D+01
      2   0.758414D+00  0.771976D+02  0.243626D+01
      3  -0.107962D+01  0.243626D+01  0.641211D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.311267D+01 -0.304668D+00 -0.178868D+01
      2   0.839287D+01 -0.661706D+01  0.284888D+02
      3   0.912118D+01 -0.167703D+02  0.477863D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.101966D+03 -0.191389D+02  0.160745D+02
      2  -0.600607D+02  0.154974D+02 -0.148439D+02
      3  -0.419056D+02  0.364144D+01 -0.123053D+01
      4  -0.204332D+02  0.152343D+02 -0.175077D+02
      5   0.191274D+02 -0.183025D+02  0.509601D+02
      6  -0.616126D+01 -0.720784D+01  0.363906D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128448D+02 -0.186959D+01  0.172957D+01 -0.425570D+01  0.252854D+01
      2  -0.186959D+01 -0.465872D+00 -0.719140D+00  0.252854D+01  0.376619D+01
      3   0.172957D+01 -0.719140D+00 -0.156577D+00  0.227741D+00  0.176619D-01
                 6             7             8             9            10 
      1   0.227741D+00  0.349301D+01  0.681650D+00  0.127815D+01  0.137875D+02
      2   0.176619D-01  0.681650D+00  0.171912D+01 -0.769039D+00  0.251199D+01
      3  -0.217370D+01  0.127815D+01 -0.769039D+00 -0.486862D+01 -0.446878D+01
                11            12            13            14            15 
      1   0.251199D+01 -0.446878D+01  0.440139D+01  0.272939D+01  0.665186D+00
      2   0.203189D+01  0.734693D+00  0.272939D+01 -0.100803D+00 -0.947598D+00
      3   0.734693D+00 -0.592936D+00  0.665186D+00 -0.947598D+00  0.222338D+01
                16            17            18            19            20 
      1  -0.732037D+01  0.954111D+00  0.952475D+00  0.418032D+01  0.160888D+01
      2   0.954111D+00 -0.201125D+01  0.187874D+01  0.160888D+01 -0.937094D+00
      3   0.952475D+00  0.187874D+01 -0.675390D+01 -0.109803D+01 -0.103282D+00
                21            22            23            24            25 
      1  -0.109803D+01  0.447325D+01 -0.396508D+00  0.645547D+00 -0.376437D+01
      2  -0.103282D+00 -0.396508D+00 -0.247796D+01  0.626857D+00 -0.361299D+00
      3  -0.912321D+00  0.645547D+00  0.626857D+00  0.204048D+01 -0.111905D+01
                26            27            28            29            30 
      1  -0.361299D+00 -0.111905D+01 -0.553091D+01  0.561084D-01 -0.289894D+00
      2  -0.310904D+00  0.279402D+01  0.561084D-01 -0.142805D+01  0.136006D+00
      3   0.279402D+01  0.565925D+01 -0.289894D+00  0.136006D+00  0.130365D+01
                31            32            33            34            35 
      1  -0.132368D+01 -0.515029D+00 -0.804753D+00 -0.638917D+00 -0.581114D+00
      2  -0.515029D+00  0.261199D+01  0.141423D+01 -0.581114D+00  0.287416D+01
      3  -0.804753D+00  0.141423D+01 -0.194752D+01  0.124262D+01 -0.218998D+01
                36            37            38            39            40 
      1   0.124262D+01 -0.338798D+01 -0.705326D+00  0.781991D+00  0.243643D+00
      2  -0.218998D+01 -0.705326D+00  0.122520D+01  0.140596D+01  0.358370D+01
      3   0.201858D+01  0.781991D+00  0.140596D+01 -0.661837D-01  0.153060D+01
                41            42            43            44            45 
      1   0.358370D+01  0.153060D+01  0.220360D+01  0.218131D+01  0.415564D+00
      2   0.524990D+01  0.802897D+00  0.218131D+01  0.150144D+01 -0.357489D+00
      3   0.802897D+00  0.661924D-01  0.415564D+00 -0.357489D+00 -0.680654D+00
                46            47            48            49            50 
      1  -0.402814D+01 -0.395194D+01 -0.147891D+01 -0.553311D+01 -0.427947D+01
      2  -0.395194D+01 -0.287878D+01 -0.992960D+00 -0.427947D+01 -0.112861D+02
      3  -0.147891D+01 -0.992960D+00 -0.819428D+00 -0.871536D+00 -0.179757D+01
                51            52            53            54            55 
      1  -0.871536D+00 -0.185437D+01 -0.947334D+00 -0.200603D+01 -0.675133D+01
      2  -0.179757D+01 -0.947334D+00 -0.143055D+01 -0.296024D+01  0.129794D+01
      3  -0.236562D+01 -0.200603D+01 -0.296024D+01 -0.219339D+01  0.232991D+01
                56            57            58            59            60 
      1   0.129794D+01  0.232991D+01 -0.184834D+01 -0.412462D+01  0.396497D+00
      2  -0.262778D+01 -0.491550D+00 -0.412462D+01 -0.101132D+01  0.521018D+00
      3  -0.491550D+00 -0.128773D+01  0.396497D+00  0.521018D+00  0.696548D-01
                61            62            63            64            65 
      1   0.158922D+01 -0.107841D+01 -0.186940D+01  0.584701D+00 -0.648686D+00
      2  -0.107841D+01 -0.156485D+00  0.117871D+01 -0.648686D+00  0.352163D+00
      3  -0.186940D+01  0.117871D+01  0.257055D+01 -0.793397D+00  0.408606D-01
                66            67            68            69            70 
      1  -0.793397D+00 -0.120939D+01  0.333086D+00 -0.257280D-01 -0.136122D+01
      2   0.408606D-01  0.333086D+00 -0.931848D+00 -0.143240D+01  0.133241D+00
      3   0.858687D+00 -0.257280D-01 -0.143240D+01 -0.165797D+01  0.760701D-01
                71            72            73            74            75 
      1   0.133241D+00  0.760701D-01  0.577773D+00  0.234233D+00  0.675812D+00
      2  -0.204044D+01 -0.176403D+01  0.234233D+00  0.632221D-01  0.139661D+00
      3  -0.176403D+01 -0.772937D+01  0.675812D+00  0.139661D+00 -0.781080D+00
                76            77            78            79            80 
      1   0.151519D+01 -0.564812D+00 -0.854369D-01  0.262716D+01 -0.116548D+00
      2  -0.564812D+00  0.325624D-01  0.812126D+00 -0.116548D+00  0.755376D+00
      3  -0.854369D-01  0.812126D+00  0.151416D+01 -0.142431D+01 -0.283702D+00
                81            82            83            84            85 
      1  -0.142431D+01 -0.534644D+00 -0.640533D+00 -0.193174D+00 -0.272223D+01
      2  -0.283702D+00 -0.640533D+00 -0.380301D+00  0.314128D+00 -0.179895D+01
      3   0.717205D+01 -0.193174D+00  0.314128D+00 -0.136985D+00  0.219655D+00
                86            87            88            89            90 
      1  -0.179895D+01  0.219655D+00 -0.149008D+01 -0.339058D-01 -0.428493D+00
      2  -0.686586D+01  0.714970D+00 -0.339058D-01 -0.496368D+00 -0.808109D+00
      3   0.714970D+00 -0.671745D+00 -0.428493D+00 -0.808109D+00  0.382136D+00
                91            92            93            94            95 
      1   0.239810D+01  0.190633D+01 -0.820401D+00  0.468593D+01  0.414348D+00
      2   0.190633D+01  0.106027D+01 -0.135815D+00  0.414348D+00  0.452979D+01
      3  -0.820401D+00 -0.135815D+00  0.104482D+00 -0.123965D+01  0.924060D+00
                96            97            98            99           100 
      1  -0.123965D+01  0.133470D+00 -0.257141D+00 -0.541007D+00  0.682710D+01
      2   0.924060D+00 -0.257141D+00  0.990080D+00  0.894495D+00  0.517806D+00
      3   0.147768D+01 -0.541007D+00  0.894495D+00  0.152055D+01  0.102339D+01
               101           102           103           104           105 
      1   0.517806D+00  0.102339D+01  0.164082D+01  0.181242D+01 -0.487616D-01
      2   0.400794D+01 -0.172592D+00  0.181242D+01  0.251815D+01  0.104034D+00
      3  -0.172592D+00  0.791029D+00 -0.487616D-01  0.104034D+00  0.750549D+00
               106           107           108           109           110 
      1   0.230322D+01 -0.321600D-01  0.142163D+00 -0.751520D+00  0.818849D+00
      2  -0.321600D-01  0.100427D+01  0.757624D+00  0.818849D+00 -0.977907D+00
      3   0.142163D+00  0.757624D+00  0.441238D+00 -0.477798D+00  0.437518D+00
               111           112           113           114           115 
      1  -0.477798D+00  0.839179D+00 -0.606716D+00  0.326708D+00 -0.110044D+01
      2   0.437518D+00 -0.606716D+00  0.424241D+01 -0.240310D+01  0.862939D+00
      3  -0.147607D+01  0.326708D+00 -0.240310D+01  0.266783D+01 -0.111859D+01
               116           117           118           119           120 
      1   0.862939D+00 -0.111859D+01  0.547384D+01 -0.113606D+01  0.307971D+01
      2  -0.392050D+01  0.352252D+01 -0.113606D+01  0.955101D+00 -0.593491D+00
      3   0.352252D+01 -0.390853D+01  0.307971D+01 -0.593491D+00  0.317146D+01
               121           122           123           124           125 
      1  -0.906952D+00  0.884620D+00 -0.936074D+00  0.518008D+01 -0.140534D+01
      2   0.884620D+00 -0.277128D+00  0.642813D+00 -0.140534D+01  0.152205D+01
      3  -0.936074D+00  0.642813D+00 -0.199338D+01  0.439982D+01 -0.189352D+01
               126 
      1   0.439982D+01
      2  -0.189352D+01
      3   0.637012D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.956600D+00 -0.648765D+00 -0.628202D+00  0.297546D+01  0.418231D+01
      2   0.523463D+01 -0.151204D+01 -0.991203D+00  0.359231D+00 -0.210259D+01
      3   0.563807D+01  0.643745D+01  0.140805D+00  0.107864D+02 -0.449356D+01
                 6             7             8             9            10 
      1  -0.488167D+01  0.307729D+01  0.199366D+01 -0.441576D+01 -0.675874D-01
      2  -0.194309D+01 -0.101414D+02 -0.173074D+01 -0.313662D+01 -0.156268D+02
      3  -0.118264D+01 -0.172150D+01 -0.113176D+01 -0.789253D+00 -0.130584D+02
                11            12            13            14            15 
      1   0.104102D+01  0.976347D+00 -0.185132D+00  0.154726D+01 -0.832546D+01
      2   0.137124D+01  0.260072D+01  0.326676D+00 -0.178376D+01  0.617486D+01
      3  -0.861542D+01  0.827400D-01  0.131169D+02 -0.273430D+01  0.246059D+01
                16            17            18            19            20 
      1  -0.667567D-01  0.769516D+01 -0.275633D+01 -0.163364D+01  0.277166D+00
      2  -0.151974D+02  0.611844D+01 -0.203589D+02  0.648584D+01  0.600223D+00
      3   0.235269D+00  0.628731D+01 -0.569926D+01  0.350551D+01 -0.695637D+01
                21            22            23            24            25 
      1   0.972361D-01 -0.366968D+01  0.143151D+01  0.168857D+01 -0.492381D+00
      2   0.471581D+01  0.180657D+01 -0.952848D-01  0.151747D+01 -0.640157D+01
      3   0.702204D+00 -0.821198D+00 -0.219534D+01  0.313597D+01  0.640119D+00
                26            27            28            29            30 
      1   0.365649D+01 -0.163817D+00  0.198084D+01  0.548934D+00 -0.172442D+01
      2  -0.170900D+01 -0.334116D+01  0.243839D+00 -0.206947D-01  0.342196D+01
      3   0.211504D+01  0.782026D+00 -0.189631D+02 -0.532081D+01 -0.291014D+01
                31            32            33            34            35 
      1   0.193367D+01 -0.684395D+01 -0.158658D+01 -0.289007D+01  0.959988D+01
      2   0.673342D+00 -0.812635D+00 -0.439684D+00 -0.325238D+01  0.293285D+00
      3   0.922132D+00  0.182374D+01 -0.115906D+01 -0.467672D+01  0.145073D+01
                36            37            38            39            40 
      1  -0.606335D+01 -0.667680D+00  0.162171D+01  0.292358D+01  0.217504D+01
      2  -0.153553D+01 -0.100814D+02 -0.914965D+00 -0.493982D+01  0.411873D+01
      3   0.193070D+01 -0.102664D+02  0.341699D+01  0.120252D+01  0.661255D+01
                41            42            43            44            45 
      1  -0.636971D+01  0.570120D+01 -0.318751D+00  0.612136D+01  0.655900D+01
      2  -0.107669D+01 -0.426523D+01 -0.175676D+02 -0.981728D+00  0.606471D+01
      3   0.143129D+02 -0.889781D+00 -0.216826D+01 -0.277552D+01  0.439593D+00
                46            47            48            49            50 
      1   0.175989D+00  0.814825D+00 -0.422203D+01  0.406056D+00  0.325679D+01
      2   0.204960D+01  0.124189D+01  0.644444D+01 -0.529932D+01  0.235634D+01
      3  -0.173343D-01 -0.839746D+01 -0.188953D+01  0.529262D+01 -0.216299D+02
                51            52            53            54            55 
      1  -0.979537D+01 -0.114419D+00  0.203738D+01 -0.261404D+01 -0.212479D+01
      2   0.681996D+01  0.338339D+01  0.555661D+01  0.290703D+01  0.229883D+01
      3  -0.254792D+01  0.164401D+00 -0.132828D+01 -0.576611D+01 -0.545459D+01
                56            57            58            59            60 
      1  -0.492384D+01  0.225946D+01 -0.505703D+01 -0.274432D+01 -0.252692D+01
      2   0.337973D+01  0.815254D+01  0.118710D+01  0.115360D+01 -0.388914D-01
      3  -0.165135D+02 -0.483855D+00 -0.144150D+02 -0.789601D+01  0.276797D+01
                61            62            63            64            65 
      1   0.101866D+01  0.293635D+01 -0.173737D+01  0.114902D+00 -0.654089D+00
      2   0.559995D+01 -0.179439D+01 -0.780749D+01  0.131320D+01 -0.354858D+00
      3   0.111171D+01  0.185623D+01  0.241169D+01 -0.294540D+00  0.582923D+00
                66            67            68            69            70 
      1   0.471190D-01  0.545997D+00  0.869069D+00 -0.513985D+00  0.360802D+00
      2   0.885648D-02 -0.109749D+01  0.102142D+01  0.279790D+00 -0.321435D+01
      3  -0.621851D+00  0.270922D+01 -0.295371D+00 -0.857029D+00  0.148990D+01
                71            72            73            74            75 
      1   0.331036D+01 -0.943715D+00  0.148795D+01 -0.108671D+01 -0.686535D+00
      2   0.687343D+00  0.234819D+01  0.184505D+01  0.460440D+00  0.102326D+01
      3  -0.685329D+00 -0.755535D+00  0.617897D+00 -0.285448D+01 -0.912195D+00
                76            77            78            79            80 
      1  -0.100747D+01  0.558992D+00  0.907212D+00 -0.149052D+01  0.236917D+01
      2  -0.102660D+01  0.993154D+00  0.119218D+01 -0.442874D+01  0.167138D+00
      3  -0.461649D+00 -0.158855D+00 -0.496441D+00 -0.282098D+01  0.315823D+00
                81            82            83            84            85 
      1   0.531953D+01 -0.124686D+01 -0.587993D+00 -0.791665D+00 -0.163001D+01
      2   0.455991D+01  0.542888D+00  0.757872D+00  0.148589D+01  0.168912D+01
      3   0.227731D+01  0.303927D+01 -0.204877D+01 -0.296602D-01  0.513316D+01
                86            87            88            89            90 
      1  -0.357408D+01 -0.202716D+01 -0.104766D+01 -0.284369D+00  0.254336D+00
      2   0.181421D+01 -0.228849D+00 -0.431682D+00 -0.211092D+00 -0.151091D+00
      3   0.500836D+01  0.206683D+00  0.146557D+01  0.757301D+00  0.127341D+01
                91            92            93            94            95 
      1   0.352290D+01  0.412009D+01  0.193995D+00  0.507485D+01  0.416935D+01
      2  -0.287271D+01 -0.244874D+01 -0.187423D+01 -0.851105D+00 -0.387114D+01
      3   0.958216D+01  0.995019D+01 -0.115867D+01  0.133764D+02  0.153706D+02
                96            97            98            99           100 
      1  -0.196297D+01  0.506846D+00  0.956782D+00 -0.148486D+01 -0.296000D+01
      2  -0.307512D+01 -0.184159D+01 -0.245667D+01 -0.893191D+00 -0.880699D+00
      3  -0.237802D+00 -0.930273D+00  0.695422D+00  0.791259D+00  0.247236D+02
               101           102           103           104           105 
      1  -0.613110D+00 -0.292027D+01 -0.365880D+00 -0.105174D+01 -0.128976D+01
      2   0.533978D+00  0.585032D+00  0.270706D-02  0.463987D+00  0.135460D+01
      3  -0.342839D+01  0.327931D+01  0.357507D+01  0.131893D+01 -0.549383D+00
               106           107           108           109           110 
      1  -0.360091D+00 -0.558259D+00 -0.100190D+01  0.305365D+00 -0.120374D+01
      2  -0.211173D+01  0.157881D+01  0.406042D+00  0.645176D-01 -0.428059D+00
      3   0.734294D+01 -0.998455D+00 -0.717413D+00 -0.130284D+01  0.326686D+00
               111           112           113           114           115 
      1   0.343108D+01 -0.383066D+00  0.396043D+01 -0.607313D+01  0.168483D+01
      2   0.707099D+00  0.486517D+00  0.489508D+00 -0.807524D+00 -0.163158D+01
      3   0.460558D+00  0.308695D+01  0.755690D+00 -0.568982D+00 -0.273045D+01
               116           117           118           119           120 
      1  -0.494337D+01  0.816474D+01  0.156017D+00  0.129450D+01  0.104431D+01
      2  -0.883673D+00  0.144593D+01  0.884338D+01 -0.144588D+01  0.107231D+02
      3   0.159725D+00 -0.610814D+00  0.187161D+01 -0.517793D+01  0.922341D+00
               121           122           123           124           125 
      1  -0.272973D+00 -0.612064D+00 -0.137742D+01  0.511312D+00  0.370831D+01
      2  -0.237547D+01  0.144987D+01 -0.654047D+01  0.100271D+02 -0.501457D+01
      3  -0.170400D+01  0.119324D+01 -0.619685D+00  0.259826D+01 -0.671824D+01
               126 
      1   0.209895D+01
      2   0.200296D+02
      3   0.443240D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.540251D+02 -0.302804D+01  0.289960D+01 -0.775662D+01  0.162544D+02
      2   0.274860D+02  0.142614D+01 -0.205566D+01  0.180083D+01 -0.157720D+02
      3   0.265391D+02  0.160191D+01 -0.843942D+00  0.595579D+01 -0.482367D+00
      4   0.147837D+01 -0.126130D+02 -0.299439D+01  0.135957D+02  0.198571D+01
      5   0.698577D+01 -0.272217D+01 -0.873063D+01  0.253958D+01  0.858157D-01
      6  -0.222845D+01  0.975665D+00 -0.435165D+00  0.146362D+01  0.504974D+00
                 6             7             8             9            10 
      1   0.581265D+01  0.493099D+01  0.423990D+01  0.973774D+01  0.839796D+02
      2  -0.394198D+00 -0.578985D+01 -0.950994D+00  0.241524D+01 -0.390022D+02
      3  -0.541845D+01  0.858852D+00 -0.328890D+01 -0.121530D+02 -0.449775D+02
      4  -0.885086D+00  0.938391D+00  0.343905D+01 -0.190211D+01  0.485703D+01
      5  -0.380266D+01  0.430680D+01 -0.230280D-01 -0.372341D+01 -0.283743D+02
      6   0.479047D+01 -0.124800D+01  0.247714D+01  0.114441D+01  0.407978D+01
                11            12            13            14            15 
      1   0.109302D+02 -0.243117D+02  0.207569D+02 -0.277992D+01 -0.121853D+01
      2  -0.853015D+01  0.126981D+02 -0.169788D+02  0.190417D+02  0.132756D+01
      3  -0.240004D+01  0.116136D+02 -0.377815D+01 -0.162618D+02 -0.109035D+00
      4   0.256605D+02  0.544439D+01  0.295082D+02 -0.621927D+01 -0.469820D+01
      5   0.523814D+01  0.561434D+01  0.453961D+01 -0.403447D+01  0.124275D+02
      6  -0.366363D+00  0.171511D+01 -0.686828D+00  0.492443D+01  0.116054D+02
                16            17            18            19            20 
      1  -0.289280D+02 -0.346023D+00 -0.809176D+01  0.289589D+01 -0.199612D+01
      2   0.191506D+02 -0.198846D+01 -0.431978D+01  0.132152D+00 -0.790352D+00
      3   0.977736D+01  0.233449D+01  0.124115D+02 -0.302805D+01  0.278647D+01
      4   0.859245D+01 -0.906607D+01  0.102032D+02 -0.244496D+01  0.709089D+01
      5   0.124504D+02  0.107758D+02 -0.397860D+02  0.358706D+01  0.181913D+01
      6   0.130529D+01  0.146899D+02  0.930947D+01 -0.615970D+00 -0.273325D+01
                21            22            23            24            25 
      1   0.143139D+01  0.345036D+01  0.605484D+01  0.439802D+01 -0.610514D+01
      2  -0.204609D+01 -0.283967D+01 -0.618209D+01  0.269627D+01  0.142768D+01
      3   0.614709D+00 -0.610691D+00  0.127249D+00 -0.709429D+01  0.467746D+01
      4   0.267091D+01 -0.756399D+01  0.791155D+01  0.217888D+01  0.491600D+01
      5   0.459460D+01  0.188644D+01  0.185671D+01  0.219012D+01 -0.856247D+00
      6  -0.195958D+00  0.311082D+01 -0.527956D+00 -0.935590D+01  0.828203D+00
                26            27            28            29            30 
      1   0.574680D+01  0.465213D+01  0.518759D+01  0.422874D+01 -0.248909D+01
      2   0.139294D+01  0.112119D+02 -0.577536D+01 -0.633738D+01  0.197905D+01
      3  -0.713974D+01 -0.158641D+02  0.587772D+00  0.210864D+01  0.510041D+00
      4  -0.456103D+01 -0.632368D+00 -0.712144D+01 -0.350393D+01 -0.551512D+00
      5  -0.163833D+01 -0.898029D+00 -0.189458D+01  0.453792D+00  0.539926D+01
      6   0.244564D+01 -0.348878D+01 -0.179345D+01  0.651739D-02  0.485230D+01
                31            32            33            34            35 
      1  -0.120824D+01 -0.124785D+02 -0.729420D+01  0.469495D+00 -0.841565D+01
      2  -0.174445D+01  0.214996D+02  0.634955D+01  0.668282D+00  0.834241D+01
      3   0.295269D+01 -0.902113D+01  0.944654D+00 -0.113778D+01  0.732462D-01
      4   0.223099D+01 -0.686070D+01 -0.377378D+01 -0.133343D+01 -0.290845D+01
      5   0.121517D+01 -0.228843D+01  0.370482D+00  0.264536D+01  0.131938D+01
      6  -0.563531D+01  0.111213D+02 -0.385251D+00  0.557576D+01 -0.868482D+01
                36            37            38            39            40 
      1   0.517927D+01 -0.330979D+01  0.109731D+02  0.145975D+00 -0.824836D+01
      2  -0.876044D+01 -0.805403D+00 -0.123527D+02 -0.445722D+01  0.188561D+01
      3   0.358118D+01  0.411519D+01  0.137963D+01  0.431125D+01  0.636275D+01
      4   0.362554D+01 -0.132238D+01 -0.190451D+02 -0.725139D+01 -0.278624D+02
      5  -0.319490D+01 -0.278382D+01 -0.877640D+01 -0.103499D+02 -0.155367D+02
      6   0.127765D+02 -0.107397D+01 -0.264332D+00 -0.303511D+01 -0.131545D+01
                41            42            43            44            45 
      1  -0.163691D+01 -0.173339D+01  0.413093D+01 -0.757251D+01 -0.461535D+01
      2  -0.119465D+02  0.672108D+01 -0.418797D+01  0.273136D+00 -0.193190D+01
      3   0.135834D+02 -0.498768D+01  0.570431D-01  0.729938D+01  0.654724D+01
      4  -0.280862D+02 -0.440680D+01 -0.164861D+02  0.221884D+01 -0.149239D+01
      5  -0.519320D+01 -0.840068D+01 -0.295503D+01 -0.896058D+00  0.559032D+01
      6  -0.509006D+01 -0.922064D+01 -0.162949D+01  0.346006D+01 -0.545784D+01
                46            47            48            49            50 
      1   0.227835D+02  0.917842D+01  0.320679D+01  0.128319D+02 -0.117263D+02
      2  -0.713128D+01  0.255699D+01 -0.243350D+01  0.139222D+01  0.345787D+02
      3  -0.156522D+02 -0.117354D+02 -0.773291D+00 -0.142241D+02 -0.228523D+02
      4   0.264268D+02  0.276936D+02  0.658526D+01  0.345269D+02  0.548806D+02
      5   0.959416D+01  0.714223D+01  0.125931D+02  0.762838D+01  0.102221D+02
      6   0.277198D+01  0.215646D+01  0.580079D+01  0.434975D+01  0.623663D+01
                51            52            53            54            55 
      1  -0.248643D+01  0.318009D+01 -0.103902D+01 -0.129655D+01  0.436404D+02
      2   0.522125D+00 -0.153256D+01  0.124016D+01 -0.643412D+00 -0.265216D+02
      3   0.196431D+01 -0.164754D+01 -0.201146D+00  0.193996D+01 -0.171188D+02
      4   0.864880D+01  0.708879D+01  0.602774D+01  0.144110D+02 -0.186583D+02
      5   0.152178D+02  0.149033D+02  0.144382D+02  0.107759D+02 -0.140470D+02
      6   0.147974D+02  0.689954D+01  0.121974D+02  0.660301D+01  0.241757D+01
                56            57            58            59            60 
      1  -0.631201D+01 -0.718428D+01  0.724242D+01  0.129039D+02 -0.271566D+01
      2   0.137228D+01  0.918007D+01 -0.782267D+01 -0.474157D+01  0.214032D+00
      3   0.493973D+01 -0.199579D+01  0.580252D+00 -0.816229D+01  0.250163D+01
      4   0.206892D+02  0.560340D+01  0.206731D+02 -0.530076D+01 -0.243268D+01
      5   0.495377D+01  0.175337D+02  0.121037D+01 -0.414876D+01 -0.120649D+01
      6  -0.124610D+01 -0.369609D+01 -0.507424D+00  0.177319D+01  0.704238D+01
                61            62            63            64            65 
      1  -0.343127D+01  0.314876D+01  0.370706D+01  0.368672D-01  0.114399D+00
      2   0.459715D+01 -0.246840D+01 -0.113331D+02 -0.346630D+01  0.807069D+00
      3  -0.116588D+01 -0.680357D+00  0.762600D+01  0.342944D+01 -0.921468D+00
      4   0.760213D+01 -0.533642D+01 -0.689492D+01 -0.489753D+00  0.629272D+00
      5   0.169266D+02 -0.637355D+01 -0.174530D+02 -0.771263D+00  0.108977D+01
      6  -0.203687D+01  0.503616D+01  0.327518D+01  0.118725D+01 -0.249055D+00
                66            67            68            69            70 
      1   0.108877D+01  0.211170D+00 -0.472286D+01 -0.385645D+01  0.143325D+01
      2   0.777457D+00  0.859636D+00  0.386361D-01 -0.188470D+01  0.846238D+00
      3  -0.186623D+01 -0.107081D+01  0.468422D+01  0.574115D+01 -0.227949D+01
      4   0.530649D+00  0.277050D+01 -0.926357D+00 -0.117899D+00  0.888916D+00
      5   0.445614D+01  0.114953D+01 -0.187779D+00 -0.500259D+00  0.413265D+01
      6  -0.140036D+00 -0.854631D+00  0.402568D+01  0.807300D+01 -0.845769D+00
                71            72            73            74            75 
      1  -0.270243D+01 -0.192203D+02  0.487793D+01 -0.364921D+00  0.251653D+01
      2  -0.454852D+01 -0.146406D+02 -0.513138D+01  0.350172D+00  0.110912D+01
      3   0.725095D+01  0.338609D+02  0.253445D+00  0.147488D-01 -0.362565D+01
      4   0.112279D+01  0.275383D+00 -0.116641D+01  0.283892D+01 -0.408363D-01
      5   0.487034D+00  0.820854D+00 -0.238508D+01  0.822992D+00  0.634117D+01
      6   0.495193D+01  0.603446D+01  0.639329D+00 -0.498698D+00  0.398878D+00
                76            77            78            79            80 
      1   0.431286D+01 -0.413112D+01 -0.253384D+01  0.953825D+01  0.109541D+01
      2  -0.119539D+01  0.136112D+01 -0.172985D+01 -0.882132D+00 -0.129469D+01
      3  -0.311747D+01  0.276999D+01  0.426369D+01 -0.865612D+01  0.199274D+00
      4  -0.402573D+00  0.752510D+00  0.100191D+01 -0.210954D+01  0.992099D-01
      5   0.451816D+00  0.457654D+00  0.148963D+01  0.207355D+01 -0.943539D+00
      6  -0.704925D+00  0.211180D+00  0.370773D+01  0.129199D+01  0.334922D+01
                81            82            83            84            85 
      1  -0.229892D+02  0.109934D+01 -0.220773D+01  0.371688D+00 -0.108154D+02
      2  -0.846964D+01  0.215041D+01  0.313949D+01 -0.119725D+00  0.100392D+02
      3   0.314588D+02 -0.324975D+01 -0.931758D+00 -0.251963D+00  0.776160D+00
      4   0.669338D+00  0.200700D+01  0.721327D+01  0.557559D+00  0.179259D+01
      5   0.458822D+01 -0.903881D-01 -0.113091D+00  0.234632D+01 -0.785880D+00
      6  -0.480701D+01  0.298026D+00 -0.967105D+00  0.345146D+00 -0.190045D+01
                86            87            88            89            90 
      1  -0.225696D+02  0.319077D+01 -0.255669D+01 -0.385918D+00 -0.446613D+01
      2   0.298946D+02 -0.229524D+01  0.235671D+01  0.103753D+01  0.245383D+01
      3  -0.732499D+01 -0.895527D+00  0.199982D+00 -0.651614D+00  0.201230D+01
      4  -0.386853D+01  0.601813D+00 -0.664410D-01 -0.137021D+01 -0.279335D+00
      5  -0.241853D+00 -0.781464D-01  0.699216D+00 -0.639248D+00 -0.312702D+00
      6  -0.580914D+01  0.377473D+01  0.150584D+01  0.446755D+01 -0.105256D+01
                91            92            93            94            95 
      1  -0.136286D+02 -0.564269D+01  0.213841D+01 -0.149333D+02 -0.907732D+01
      2   0.109431D+02  0.206687D+01 -0.323752D+01  0.837934D+01  0.101846D+02
      3   0.268545D+01  0.357582D+01  0.109911D+01  0.655397D+01 -0.110727D+01
      4  -0.251190D+01 -0.223104D+01 -0.949769D+00  0.490503D+01 -0.160158D+02
      5   0.377457D+01  0.994354D-01 -0.393644D+01  0.529375D+01 -0.327577D+01
      6  -0.158835D+01 -0.779691D+00 -0.127219D+01 -0.334159D+01  0.444716D+01
                96            97            98            99           100 
      1   0.104978D+01  0.142346D+01 -0.274685D+01 -0.294137D+01  0.527067D+01
      2  -0.789131D+00 -0.968410D+00  0.205736D+01  0.743629D+00  0.138785D+01
      3  -0.260651D+00 -0.455046D+00  0.689485D+00  0.219774D+01 -0.665852D+01
      4  -0.521383D+01  0.522956D+00 -0.267396D+01 -0.295972D+01  0.111836D+02
      5  -0.624743D+01  0.235627D+01 -0.286561D+01 -0.278139D+01 -0.527443D+00
      6   0.363364D+01 -0.103383D+01  0.403611D+01  0.433429D+01  0.252661D+01
               101           102           103           104           105 
      1  -0.112113D+02  0.200171D+01 -0.382662D+01 -0.324580D+01 -0.142866D-01
      2   0.148954D+02  0.356810D-01  0.691455D+01  0.773283D+01  0.520410D+00
      3  -0.368410D+01 -0.203739D+01 -0.308793D+01 -0.448703D+01 -0.506124D+00
      4   0.948360D+01  0.170498D+01  0.870787D+01  0.873592D+01  0.101635D+01
      5   0.287714D-01 -0.286477D+00 -0.849504D+00  0.459588D+00  0.174563D+01
      6  -0.114900D+01  0.447482D+01 -0.201253D+00 -0.646260D-01  0.272358D+01
               106           107           108           109           110 
      1  -0.231240D-01 -0.245501D+01 -0.179552D+01 -0.124508D+01  0.220122D+01
      2   0.439525D+00  0.265462D+01  0.103538D+01  0.166605D+01 -0.219549D+01
      3  -0.416401D+00 -0.199605D+00  0.760143D+00 -0.420973D+00 -0.572772D-02
      4   0.343702D+01  0.164143D+01  0.192441D+01 -0.235503D+01  0.512761D+01
      5   0.162058D+01  0.164441D+01  0.288248D+00  0.144405D+01 -0.261810D+01
      6   0.373353D+00  0.395423D+01  0.151603D+01 -0.302064D+01  0.391667D+01
               111           112           113           114           115 
      1  -0.158837D+01  0.162635D+01 -0.148659D+02  0.909211D+01 -0.302744D+01
      2   0.827963D+00 -0.200028D+01  0.171910D+02 -0.951244D+01  0.152290D+01
      3   0.760404D+00  0.373938D+00 -0.232515D+01  0.420331D+00  0.150453D+01
      4  -0.351239D+01  0.444147D+01 -0.280019D+01  0.189355D+01 -0.341041D+01
      5   0.376540D+01 -0.111064D+01  0.143856D+01 -0.114032D+01  0.341118D+01
      6  -0.619271D+01  0.217992D+01 -0.165513D+02  0.156497D+02 -0.513116D+01
               116           117           118           119           120 
      1   0.141254D+02 -0.143711D+02  0.283252D+02 -0.585208D+01  0.183331D+02
      2  -0.117519D+02  0.782274D+01 -0.188764D+02  0.308613D+01 -0.115380D+02
      3  -0.237352D+01  0.654837D+01 -0.944882D+01  0.276595D+01 -0.679511D+01
      4   0.337941D+01 -0.428578D+01 -0.912427D+01  0.816386D+01 -0.536061D+01
      5  -0.249353D+01  0.334933D+01  0.244087D+02 -0.498201D+01  0.247805D+02
      6   0.201758D+02 -0.205697D+02 -0.359971D+01  0.119827D+01 -0.261979D+01
               121           122           123           124           125 
      1  -0.414910D+01  0.556097D+00 -0.331471D+01  0.196849D+02 -0.431701D+01
      2   0.232107D+01  0.494851D-01  0.150289D+01 -0.169284D+02  0.438059D+01
      3   0.182802D+01 -0.605582D+00  0.181182D+01 -0.275647D+01 -0.635854D-01
      4   0.709297D+01 -0.343006D+01  0.510737D+01 -0.105807D+02  0.798768D+01
      5  -0.763188D+01  0.484985D+01 -0.120652D+02  0.327018D+02 -0.120335D+02
      6   0.296412D+01 -0.276521D+01  0.728476D+01 -0.509646D+01  0.464124D+01
               126 
      1   0.137637D+02
      2  -0.183313D+02
      3   0.456759D+01
      4  -0.126622D+02
      5   0.416570D+02
      6  -0.718122D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168738D+01      0.428889D+01      0.143062D+02
   x          0.126382D+01      0.321232D+01      0.107151D+02
   y          0.111109D+01      0.282410D+01      0.942018D+01
   z          0.124443D+00      0.316304D+00      0.105508D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.690623D+02      0.102340D+02      0.113868D+02
   aniso      0.245752D+02      0.364167D+01      0.405191D+01
   xx         0.842092D+02      0.124785D+02      0.138842D+02
   yx         0.105343D+01      0.156102D+00      0.173686D+00
   yy         0.666948D+02      0.988315D+01      0.109965D+02
   zx        -0.460358D+00     -0.682180D-01     -0.759028D-01
   zy         0.906411D+00      0.134316D+00      0.149447D+00
   zz         0.562831D+02      0.834029D+01      0.927982D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.785783D+02      0.116441D+02      0.129558D+02
   aniso      0.267520D+02      0.396424D+01      0.441081D+01
   xx         0.944163D+02      0.139911D+02      0.155672D+02
   yx         0.758414D+00      0.112385D+00      0.125046D+00
   yy         0.771976D+02      0.114395D+02      0.127282D+02
   zx        -0.107962D+01     -0.159983D+00     -0.178005D+00
   zy         0.243626D+01      0.361017D+00      0.401685D+00
   zz         0.641211D+02      0.950176D+01      0.105721D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.58112867         -1.86637353          0.40714837
    16          2.46131600         -2.29265450          3.29033860
     6          0.28819672          0.94977742         -0.16971886
     7         -1.18447295          2.22349955          1.79673540
     6         -1.07906137          1.16052260         -2.73251525
     8         -0.07908713          0.64073368         -4.69988145
     8         -3.48424416          1.90534065         -2.54138774
     1          2.16560639          1.77252208         -0.43886912
     1         -1.27497411         -2.71331578          0.68958041
     1          1.50783137         -2.77752793         -1.18237021
     1         -3.75437528          2.22197396         -0.72620678
     1         -0.94893408          1.35650657          3.48981572
     1         -0.65214473          4.04959856          2.00216909
     1          1.63230811         -4.62392650          3.84395850

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168738D+01      0.428889D+01      0.143062D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168738D+01      0.428889D+01      0.143062D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.690623D+02      0.102340D+02      0.113868D+02
   aniso      0.245752D+02      0.364167D+01      0.405191D+01
   xx         0.653391D+02      0.968225D+01      0.107730D+02
   yx        -0.859864D+01     -0.127419D+01     -0.141772D+01
   yy         0.643083D+02      0.952951D+01      0.106030D+02
   zx         0.657279D+01      0.973987D+00      0.108371D+01
   zy        -0.547832D+01     -0.811804D+00     -0.903254D+00
   zz         0.775396D+02      0.114902D+02      0.127846D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.785783D+02      0.116441D+02      0.129558D+02
   aniso      0.267520D+02      0.396424D+01      0.441081D+01
   xx         0.759046D+02      0.112479D+02      0.125150D+02
   yx        -0.102330D+02     -0.151638D+01     -0.168720D+01
   yy         0.721792D+02      0.106958D+02      0.119007D+02
   zx         0.614224D+01      0.910186D+00      0.101272D+01
   zy        -0.555940D+01     -0.823819D+00     -0.916622D+00
   zz         0.876513D+02      0.129886D+02      0.144517D+02

 ----------------------------------------------------------------------
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 LENDING MONEY TO FRIENDS CAUSES THEM TO LOSE THEIR MEMORIES.

    --  PETER'S THEORY OF RECIPROCAL INHIBITION OF FISCAL RECALL
 Job cpu time:       0 days  0 hours 45 minutes 19.1 seconds.
 Elapsed time:       0 days  0 hours  5 minutes 41.4 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:43:10 2021.
